NPASS Compound

Structure

Physi-Chem Properties

Molecular Weight:	191.07
Volume:	184.496
LogP:	1.391
LogD:	1.644
LogS:	-1.829
# Rotatable Bonds:	2
TPSA:	70.24
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	5

MedChem Properties

QED Drug-Likeness Score:	0.656
Synthetic Accessibility Score:	2.804
Fsp3:	0.111
Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Accepted
GSK Rule:	Accepted
BMS Rule:	0
Golden Triangle Rule:	Rejected
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-4.558
MDCK Permeability:	4.814269414055161e-05
Pgp-inhibitor:	0.001
Pgp-substrate:	0.118
Human Intestinal Absorption (HIA):	0.452
20% Bioavailability (F20%):	0.002
30% Bioavailability (F30%):	0.236

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.99
Plasma Protein Binding (PPB):	42.86825180053711%
Volume Distribution (VD):	0.807
Pgp-substrate:	58.45847702026367%

ADMET: Metabolism

CYP1A2-inhibitor:	0.97
CYP1A2-substrate:	0.977
CYP2C19-inhibitor:	0.257
CYP2C19-substrate:	0.059
CYP2C9-inhibitor:	0.096
CYP2C9-substrate:	0.064
CYP2D6-inhibitor:	0.1
CYP2D6-substrate:	0.012
CYP3A4-inhibitor:	0.1
CYP3A4-substrate:	0.829

ADMET: Excretion

Clearance (CL):	5.92
Half-life (T1/2):	0.913

ADMET: Toxicity

hERG Blockers:	0.052
Human Hepatotoxicity (H-HT):	0.995
Drug-inuced Liver Injury (DILI):	0.947
AMES Toxicity:	0.97
Rat Oral Acute Toxicity:	0.972
Maximum Recommended Daily Dose:	0.898
Skin Sensitization:	0.636
Carcinogencity:	0.946
Eye Corrosion:	0.004
Eye Irritation:	0.544
Respiratory Toxicity:	0.95

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs

Natural Product: NPC42483

Natural Product ID:	NPC42483
*Common Name:**	Carbendazim
IUPAC Name:	methyl N-(1H-benzimidazol-2-yl)carbamate
Synonyms:	Bavistin; Carbendazim
Standard InCHIKey:	TWFZGCMQGLPBSX-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
SMILES:	COC(=Nc1nc2ccccc2[nH]1)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL70971
PubChem CID:	25429
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000002] Organoheterocyclic compounds [CHEMONTID:0000294] Benzimidazoles [CHEMONTID:0004711] 2-benzimidazolylcarbamic acid esters

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO29110	Litsea cubeba	Species	Lauraceae	Eukaryota	n.a.	aerial part	n.a.	PMID[18991207]
NPO29110	Litsea cubeba	Species	Lauraceae	Eukaryota	essential oil	Tibet	n.a.	PMID[20944522]
NPO40417	Rhizopycnis vagum Nitaf22	Strain	Morosphaeriaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27441892]
NPO29110	Litsea cubeba	Species	Lauraceae	Eukaryota	Twigs	n.a.	n.a.	PMID[28541690]
NPO40487	Curvularia hawaiiensis TA26-15	Strain	Pleosporaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31478377]
NPO29110	Litsea cubeba	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO29110	Litsea cubeba	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO29110	Litsea cubeba	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO29110	Litsea cubeba	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	NP ID	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
EC50	142
ED50	1
GI50	59
IC50	9
MIC	88
Others	292
Potency	74

Activity Type	# Activity
Cell Line	67
CELL-LINE	1
Individual Protein	28
NON-MOLECULAR	5
Organism	512
Others	52

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT5835	Individual Protein	Methionine aminopeptidase	Escherichia coli K-12	Inhibition	=	17.6	%	PMID[479366]
NPT5835	Individual Protein	Methionine aminopeptidase	Escherichia coli K-12	IC50	>	10000.0	nM	PMID[479366]
NPT347	Cell Line	Lymphoblastoid cells	Homo sapiens	Potency	=	31622.8	nM	PMID[479378]
NPT347	Cell Line	Lymphoblastoid cells	Homo sapiens	Potency	=	12589.3	nM	PMID[479378]
NPT347	Cell Line	Lymphoblastoid cells	Homo sapiens	Potency	=	6309.6	nM	PMID[479378]
NPT249	Individual Protein	Glucocorticoid receptor	Homo sapiens	Potency	n.a.	19952.6	nM	PMID[479378]
NPT46	Individual Protein	Thyroid hormone receptor beta-1	Homo sapiens	Potency	n.a.	35.5	nM	PMID[479382]
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	44668.4	nM	PMID[479382]
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	7943.3	nM	PMID[479378]
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	7079.5	nM	PMID[479378]
NPT249	Individual Protein	Glucocorticoid receptor	Homo sapiens	Potency	n.a.	15848.9	nM	PMID[479382]
NPT249	Individual Protein	Glucocorticoid receptor	Homo sapiens	Potency	n.a.	14125.4	nM	PMID[479378]
NPT367	Cell Line	MDA-N	Homo sapiens	GI50	n.a.	2978.52	nM	PMID[479385]
NPT368	Cell Line	SN12C	Homo sapiens	GI50	n.a.	21877.62	nM	PMID[479385]
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50	n.a.	14190.58	nM	PMID[479385]
NPT371	Cell Line	UO-31	Homo sapiens	GI50	n.a.	20701.41	nM	PMID[479385]
NPT369	Cell Line	ACHN	Homo sapiens	GI50	n.a.	56104.8	nM	PMID[479385]
NPT116	Cell Line	HL-60	Homo sapiens	GI50	n.a.	4255.98	nM	PMID[479385]
NPT372	Cell Line	HOP-92	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[479385]
NPT90	Cell Line	DU-145	Homo sapiens	GI50	n.a.	5176.07	nM	PMID[479385]
NPT374	Cell Line	SF-539	Homo sapiens	GI50	n.a.	5199.96	nM	PMID[479385]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50	n.a.	6025.6	nM	PMID[479385]
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50	n.a.	43853.07	nM	PMID[479385]
NPT376	Cell Line	A498	Homo sapiens	GI50	n.a.	100000.0	nM	PMID[479385]
NPT111	Cell Line	K562	Homo sapiens	GI50	n.a.	17906.06	nM	PMID[479385]
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	n.a.	3999.45	nM	PMID[479385]
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50	n.a.	6338.7	nM	PMID[479385]
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	n.a.	11066.24	nM	PMID[479385]
NPT380	Cell Line	U-251	Homo sapiens	GI50	n.a.	4864.07	nM	PMID[479385]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50	n.a.	3133.29	nM	PMID[479385]
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	n.a.	10839.27	nM	PMID[479385]
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	n.a.	49431.07	nM	PMID[479385]
NPT383	Cell Line	SNB-19	Homo sapiens	GI50	n.a.	10139.11	nM	PMID[479385]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	n.a.	27797.13	nM	PMID[479385]
NPT385	Cell Line	SR	Homo sapiens	GI50	n.a.	7328.25	nM	PMID[479385]
NPT323	Cell Line	SW-620	Homo sapiens	GI50	n.a.	3572.73	nM	PMID[479385]
NPT384	Cell Line	TK-10	Homo sapiens	GI50	n.a.	49203.95	nM	PMID[479385]
NPT386	Cell Line	KM12	Homo sapiens	GI50	n.a.	4255.98	nM	PMID[479385]
NPT387	Cell Line	M14	Homo sapiens	GI50	n.a.	4688.13	nM	PMID[479385]
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50	n.a.	29716.66	nM	PMID[479385]
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50	n.a.	5248.07	nM	PMID[479385]
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	n.a.	47424.2	nM	PMID[479385]
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	n.a.	8729.71	nM	PMID[479385]
NPT457	Cell Line	BT-549	Homo sapiens	GI50	n.a.	10092.53	nM	PMID[479385]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50	n.a.	17782.79	nM	PMID[479385]
NPT81	Cell Line	A549	Homo sapiens	GI50	n.a.	6966.27	nM	PMID[479385]
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50	n.a.	5370.32	nM	PMID[479385]
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	n.a.	9375.62	nM	PMID[479385]
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	n.a.	4207.27	nM	PMID[479385]
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	n.a.	3365.12	nM	PMID[479385]
NPT395	Cell Line	SF-268	Homo sapiens	GI50	n.a.	51286.14	nM	PMID[479385]
NPT394	Cell Line	EKVX	Homo sapiens	GI50	n.a.	52722.99	nM	PMID[479385]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	n.a.	5069.91	nM	PMID[479385]
NPT306	Cell Line	PC-3	Homo sapiens	GI50	n.a.	15275.66	nM	PMID[479385]
NPT396	Cell Line	T47D	Homo sapiens	GI50	n.a.	9506.05	nM	PMID[479385]
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	n.a.	3443.5	nM	PMID[479385]
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	n.a.	3357.38	nM	PMID[479385]
NPT398	Cell Line	UACC-62	Homo sapiens	GI50	n.a.	3999.45	nM	PMID[479385]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50	n.a.	2344.23	nM	PMID[479385]
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	n.a.	11402.5	nM	PMID[479385]
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	n.a.	8165.82	nM	PMID[479385]
NPT399	Cell Line	SF-295	Homo sapiens	GI50	n.a.	4720.63	nM	PMID[479385]
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50	n.a.	12941.96	nM	PMID[479385]
NPT403	Cell Line	UACC-257	Homo sapiens	GI50	n.a.	60953.69	nM	PMID[479385]
NPT401	Cell Line	786-0	Homo sapiens	GI50	n.a.	9527.96	nM	PMID[479385]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50	n.a.	21232.44	nM	PMID[479385]
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50	n.a.	10447.2	nM	PMID[479385]
NPT139	Cell Line	HT-29	Homo sapiens	GI50	n.a.	4655.86	nM	PMID[479385]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50	n.a.	16218.1	nM	PMID[479385]
NPT407	Cell Line	COLO 205	Homo sapiens	GI50	n.a.	5046.61	nM	PMID[479385]
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	n.a.	17458.22	nM	PMID[479385]
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	n.a.	9200.0	nM	PMID[479387]
NPT155	Individual Protein	Aryl hydrocarbon receptor	Homo sapiens	Potency	n.a.	39810.7	nM	PMID[479382]
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	n.a.	10000.0	nM	PMID[479378]
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	n.a.	12589.3	nM	PMID[479382]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	105909.3	nM	PMID[479378]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	61130.6	nM	PMID[479382]
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	n.a.	20596.2	nM	PMID[479387]
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency	n.a.	8912.5	nM	PMID[479387]
NPT158	Individual Protein	Nuclear receptor subfamily 1 group I member 2	Rattus norvegicus	Potency	n.a.	10000.0	nM	PMID[479378]
NPT158	Individual Protein	Nuclear receptor subfamily 1 group I member 2	Rattus norvegicus	Potency	n.a.	50118.7	nM	PMID[479382]
NPT102	Individual Protein	Interleukin-8	Homo sapiens	Potency	n.a.	74978.0	nM	PMID[479378]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	5804.8	nM	PMID[479387]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	6513.1	nM	PMID[479387]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	27306.0	nM	PMID[479382]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	11883.2	nM	PMID[479378]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	15520.0	nM	PMID[479437]
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	4364.7	nM	PMID[22440624]
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	3889.5	nM	PMID[26214125]
NPT2645	Organism	Giardia intestinalis	Giardia intestinalis	IC50	=	57.0	nM	PMID[479365]
NPT992	Organism	Entamoeba histolytica	Entamoeba histolytica	IC50	=	204.0	nM	PMID[479365]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IZ	=	11.0	mm	PMID[479367]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IZ	=	70.0	mm	PMID[479367]
NPT610	Others	Molecular identity unknown		IZ	=	4.0	mm	PMID[479367]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	IZ	=	6.0	mm	PMID[479368]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	IZ	=	14.0	mm	PMID[479368]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	IZ	=	21.0	mm	PMID[479368]
NPT3695	Organism	Penicillium funiculosum	Penicillium funiculosum	IZ	=	16.0	mm	PMID[479368]
NPT3695	Organism	Penicillium funiculosum	Penicillium funiculosum	IZ	=	21.0	mm	PMID[479368]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IZ	=	13.0	mm	PMID[479368]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IZ	=	18.0	mm	PMID[479368]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	11.0	mm	PMID[479368]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	18.0	mm	PMID[479368]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IZ	=	7.0	mm	PMID[479368]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	6.0	mm	PMID[479368]
NPT3695	Organism	Penicillium funiculosum	Penicillium funiculosum	IZ	=	9.0	mm	PMID[479368]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	18.0	ug.mL-1	PMID[479369]
NPT4304	Organism	Macrophomina phaseolina	Macrophomina phaseolina	MIC	=	15.0	ug.mL-1	PMID[479369]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	EC50	=	7.62	ug.mL-1	PMID[479370]
NPT851	Organism	Colletotrichum fragariae	Colletotrichum fragariae	IZ	=	24.0	mm	PMID[479371]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	MIC	=	25.0	ug.mL-1	PMID[479372]
NPT4304	Organism	Macrophomina phaseolina	Macrophomina phaseolina	MIC	=	18.0	ug.mL-1	PMID[479372]
NPT3540	Organism	Cochliobolus lunatus	Cochliobolus lunatus	MIC	=	15.0	ug.mL-1	PMID[479372]
NPT962	Organism	Alternaria alternata	Alternaria alternata	MIC	=	12.0	ug.mL-1	PMID[479372]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	GI	=	100.0	%	PMID[479373]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	GI	=	100.0	%	PMID[479373]
NPT1199	Organism	Valsa mali	Valsa mali	GI	=	95.0	%	PMID[479373]
NPT6578	Organism	Microdochium nivale	Microdochium nivale	IC50	=	2600.0	nM	PMID[479374]
NPT826	Organism	Magnaporthe oryzae	Magnaporthe oryzae	IC50	=	5000.0	nM	PMID[479374]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	18.0	ug.mL-1	PMID[479375]
NPT4304	Organism	Macrophomina phaseolina	Macrophomina phaseolina	MIC	=	15.0	ug.mL-1	PMID[479375]
NPT2	Others	Unspecified		Inhibition	=	34.0	%	PMID[479376]
NPT3684	Organism	Trichoderma	Trichoderma	MIC	=	15.0	ug.mL-1	PMID[479377]
NPT3629	Organism	Aspergillus sp.	Aspergillus sp.	MIC	=	15.0	ug.mL-1	PMID[479377]
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	10.0	ug.mL-1	PMID[479377]
NPT2	Others	Unspecified		Potency	=	25118.9	nM	PMID[479378]
NPT2	Others	Unspecified		Potency	=	3162.3	nM	PMID[479378]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	IZ	=	7.0	mm	PMID[479379]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	10.0	mm	PMID[479379]
NPT21	Organism	Aspergillus niger	Aspergillus niger	IZ	=	12.0	mm	PMID[479379]
NPT21	Organism	Aspergillus niger	Aspergillus niger	MIC	=	22.0	ug.mL-1	PMID[479379]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	25.0	ug.mL-1	PMID[479379]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	MIC	=	26.0	ug.mL-1	PMID[479379]
NPT21	Organism	Aspergillus niger	Aspergillus niger	IZ	=	12.0	mm	PMID[479383]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	IZ	=	9.0	mm	PMID[479383]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	10.0	mm	PMID[479383]
NPT21	Organism	Aspergillus niger	Aspergillus niger	MIC	=	22.0	ug.mL-1	PMID[479383]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	MIC	=	26.0	ug.mL-1	PMID[479383]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	25.0	ug.mL-1	PMID[479383]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	20.0	ug.mL-1	PMID[479384]
NPT4304	Organism	Macrophomina phaseolina	Macrophomina phaseolina	MIC	=	15.0	ug.mL-1	PMID[479384]
NPT2645	Organism	Giardia intestinalis	Giardia intestinalis	IC50	=	57.0	nM	PMID[479386]
NPT35	Others	n.a.		logKw	=	0.9	n.a.	PMID[479386]
NPT35	Others	n.a.		Solubility	=	2441.0	ug.mL-1	PMID[479386]
NPT35	Others	n.a.		log1/S	=	1.89	n.a.	PMID[479386]
NPT35	Others	n.a.		LogD	=	1.49	n.a.	PMID[479386]
NPT87	Organism	Aspergillus fumigatus	Aspergillus fumigatus	GI	=	92.0	%	PMID[479388]
NPT21	Organism	Aspergillus niger	Aspergillus niger	GI	=	90.0	%	PMID[479388]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	Activity	=	75.0	%	PMID[479389]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	Activity	=	80.0	%	PMID[479389]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	EC50	=	1.5	ug.mL-1	PMID[479390]
NPT6496	Organism	Cochliobolus pallescens	Cochliobolus pallescens	MIC	=	4000.0	ppm	PMID[479391]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	3000.0	ppm	PMID[479391]
NPT6637	Organism	Glomerella tucumanensis	Glomerella tucumanensis	MIC	=	4000.0	ppm	PMID[479391]
NPT1203	Organism	Fusarium graminearum	Fusarium graminearum	MIC	=	6.25	ug.mL-1	PMID[479392]
NPT2648	Organism	Fusarium oxysporum f. sp. vasinfectum	Fusarium oxysporum f. sp. vasinfectum	MIC	=	25.0	ug.mL-1	PMID[479392]
NPT5164	Organism	Fusarium oxysporum f. sp. niveum	Fusarium oxysporum f. sp. niveum	MIC	=	12.5	ug.mL-1	PMID[479392]
NPT2600	Organism	Fusarium solani	Fusarium solani	MIC	=	25.0	ug.mL-1	PMID[479392]
NPT562	Organism	Colletotrichum gloeosporioides	Colletotrichum gloeosporioides	MIC	=	6.25	ug.mL-1	PMID[479392]
NPT962	Organism	Alternaria alternata	Alternaria alternata	MIC	=	6.25	ug.mL-1	PMID[479392]
NPT2705	Organism	Alternaria solani	Alternaria solani	MIC	=	12.5	ug.mL-1	PMID[479392]
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	MIC	=	12.5	ug.mL-1	PMID[479392]
NPT1525	Organism	Rhizoctonia solani AG-1 IA	Rhizoctonia solani AG-1 IA	EC90	=	8.41	mg/L	PMID[479393]
NPT1525	Organism	Rhizoctonia solani AG-1 IA	Rhizoctonia solani AG-1 IA	EC50	=	0.17	ug.mL-1	PMID[479393]
NPT1525	Organism	Rhizoctonia solani AG-1 IA	Rhizoctonia solani AG-1 IA	Activity	=	0.0	mm	PMID[479393]
NPT1525	Organism	Rhizoctonia solani AG-1 IA	Rhizoctonia solani AG-1 IA	Activity	=	1.5	mm	PMID[479393]
NPT1525	Organism	Rhizoctonia solani AG-1 IA	Rhizoctonia solani AG-1 IA	Activity	=	39.0	mm	PMID[479393]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	8.5	cm	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Crop_yield	=	11.25	Kg	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	PDI	=	27.5	%	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	7.3	cm	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Crop_yield	=	120.8	g	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	PDI	=	27.7	%	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	0.11	%	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	18.0	%	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	19.0	%	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	13.5	%	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	0.0	10'6/ml	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	1.03	10'6/ml	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	1.49	10'6/ml	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	2.42	10'6/ml	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	3.53	10'6/ml	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	CFU	=	0.0	n.a.	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	CFU	=	3.2	n.a.	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	CFU	=	10.3	n.a.	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	CFU	=	32.2	n.a.	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Inhibition	=	35.0	%	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	0.0	mg	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	46.0	mg	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	82.0	mg	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	186.0	mg	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	304.0	mg	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	405.0	mg	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	570.0	mg	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	9.0	mm	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	21.3	mm	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	39.5	mm	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	45.8	mm	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	66.3	mm	PMID[479394]
NPT6613	Organism	Colletotrichum capsici	Colletotrichum capsici	Activity	=	85.5	mm	PMID[479394]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	100.0	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	94.44	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	95.82	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	99.9	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	98.28	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	0.0	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	99.2	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	97.77	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	98.52	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	96.29	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	87.37	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	95.0	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	90.33	%	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	4.0	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	3.98	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	4.7	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	6.55	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	5.0	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	4.4	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	4.15	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	3.92	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	3.54	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	5.85	/cm2	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	31.25	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	32.5	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	31.0	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	30.55	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	29.5	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	28.3	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	25.5	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	30.2	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	27.1	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	Activity	=	25.55	mm	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	>	50.0	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.09	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.08	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.06	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.11	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.12	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.02	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.07	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.01	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.1	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.03	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.05	ug.mL-1	PMID[479395]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.18	ug.mL-1	PMID[479395]
NPT6496	Organism	Cochliobolus pallescens	Cochliobolus pallescens	MIC	=	4000.0	ppm	PMID[479396]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	3000.0	ppm	PMID[479396]
NPT6637	Organism	Glomerella tucumanensis	Glomerella tucumanensis	MIC	=	4000.0	ppm	PMID[479396]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	0.63	ug.mL-1	PMID[479397]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	2.5	ug.mL-1	PMID[479397]
NPT6600	Organism	Verticillium albo-atrum	Verticillium albo-atrum	MIC	=	0.63	ug.mL-1	PMID[479397]
NPT2781	Organism	Fusarium moniliforme	Gibberella moniliformis	MIC	=	0.63	ug.mL-1	PMID[479397]
NPT1493	Organism	Ceratocystis paradoxa	Ceratocystis paradoxa	GI	=	100.0	%	PMID[479398]
NPT1494	Organism	Alternaria mali	Alternaria mali	GI	=	100.0	%	PMID[479398]
NPT722	Organism	Athelia rolfsii	Athelia rolfsii	GI	=	100.0	%	PMID[479398]
NPT1198	Organism	Magnaporthe grisea	Magnaporthe grisea	GI	=	100.0	%	PMID[479398]
NPT1493	Organism	Ceratocystis paradoxa	Ceratocystis paradoxa	IZ	=	25.7	mm	PMID[479398]
NPT1494	Organism	Alternaria mali	Alternaria mali	IZ	=	9.9	mm	PMID[479398]
NPT722	Organism	Athelia rolfsii	Athelia rolfsii	IZ	=	11.6	mm	PMID[479398]
NPT1198	Organism	Magnaporthe grisea	Magnaporthe grisea	IZ	=	18.6	mm	PMID[479398]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC90	=	4.46	ug ml-1	PMID[479400]
NPT1503	Organism	Verticillium dahliae	Verticillium dahliae	EC90	=	93.33	ug ml-1	PMID[479400]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	EC90	=	2.82	ug ml-1	PMID[479400]
NPT2648	Organism	Fusarium oxysporum f. sp. vasinfectum	Fusarium oxysporum f. sp. vasinfectum	EC90	=	2.98	ug ml-1	PMID[479400]
NPT961	Organism	Pythium aphanidermatum	Pythium aphanidermatum	EC90	=	75.86	ug ml-1	PMID[479400]
NPT2975	Organism	Colletotrichum orbiculare	Colletotrichum orbiculare	EC90	=	199.52	ug ml-1	PMID[479400]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	1.95	ug.mL-1	PMID[479400]
NPT1503	Organism	Verticillium dahliae	Verticillium dahliae	EC50	=	18.2	ug.mL-1	PMID[479400]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	EC50	=	1.41	ug.mL-1	PMID[479400]
NPT2648	Organism	Fusarium oxysporum f. sp. vasinfectum	Fusarium oxysporum f. sp. vasinfectum	EC50	=	0.54	ug.mL-1	PMID[479400]
NPT961	Organism	Pythium aphanidermatum	Pythium aphanidermatum	EC50	=	20.42	ug.mL-1	PMID[479400]
NPT2975	Organism	Colletotrichum orbiculare	Colletotrichum orbiculare	EC50	=	39.81	ug.mL-1	PMID[479400]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	Activity	=	59.0	Kg	PMID[479399]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	Activity	=	57.0	Kg	PMID[479399]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	Activity	=	63.5	Kg	PMID[479399]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	Activity	=	73.8	Kg	PMID[479399]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	Activity	=	114.9	Kg	PMID[479399]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	Activity	=	102.4	Kg	PMID[479399]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	Activity	=	67.9	Kg	PMID[479399]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	Activity	=	53.7	Kg	PMID[479399]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	Activity	=	13.37	%	PMID[479401]
NPT6522	Organism	Pestalotiopsis theae	Pestalotiopsis theae	Activity	=	5.0	%	PMID[479402]
NPT6522	Organism	Pestalotiopsis theae	Pestalotiopsis theae	Crop_yield	=	3845.0	kg/ha	PMID[479402]
NPT6522	Organism	Pestalotiopsis theae	Pestalotiopsis theae	Activity	=	6.6	%	PMID[479402]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	Activity	=	18.9	%	PMID[479403]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	EC50	>	100.0	ug.mL-1	PMID[479403]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	EC50	=	0.168	ug.mL-1	PMID[479403]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	EC50	=	0.147	ug.mL-1	PMID[479403]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	EC50	=	0.186	ug.mL-1	PMID[479403]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	EC50	=	0.177	ug.mL-1	PMID[479403]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	EC50	=	0.137	ug.mL-1	PMID[479403]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	EC50	=	0.134	ug.mL-1	PMID[479403]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	EC50	=	0.106	ug.mL-1	PMID[479403]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	EC50	=	1.54	ug.mL-1	PMID[479404]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	EC50	=	0.13	ug.mL-1	PMID[479405]
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	EC50	=	7.4	ug.mL-1	PMID[479405]
NPT1887	Organism	Phytophthora cactorum	Phytophthora cactorum	GI	=	81.0	%	PMID[479406]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	Inhibition	=	100.0	%	PMID[479407]
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	Inhibition	=	100.0	%	PMID[479407]
NPT562	Organism	Colletotrichum gloeosporioides	Colletotrichum gloeosporioides	Inhibition	=	100.0	%	PMID[479407]
NPT2976	Organism	Thanatephorus cucumeris	Thanatephorus cucumeris	Inhibition	=	100.0	%	PMID[479407]
NPT825	Organism	Phytophthora infestans	Phytophthora infestans	Inhibition	=	100.0	%	PMID[479407]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	Inhibition	=	100.0	%	PMID[479407]
NPT2781	Organism	Fusarium moniliforme	Gibberella moniliformis	Inhibition	=	100.0	%	PMID[479407]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	Inhibition	=	100.0	%	PMID[479407]
NPT1494	Organism	Alternaria mali	Alternaria mali	Inhibition	=	100.0	%	PMID[479407]
NPT1278	Organism	Fusarium culmorum	Fusarium culmorum	GI	=	81.0	%	PMID[479406]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	GI	=	81.0	%	PMID[479406]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	3.33	ug.mL-1	PMID[479408]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	3.52	ug.mL-1	PMID[479408]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	3.59	ug.mL-1	PMID[479408]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	10.93	ug.mL-1	PMID[479408]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	10.92	ug.mL-1	PMID[479408]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	10.85	ug.mL-1	PMID[479408]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	12.31	ug.mL-1	PMID[479408]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	3.24	ug.mL-1	PMID[479408]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	0.47	ug.mL-1	PMID[479408]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	0.1	ug.mL-1	PMID[479408]
NPT5869	Organism	Colletotrichum lindemuthianum	Colletotrichum lindemuthianum	Inhibition	=	82.09	%	PMID[479409]
NPT1199	Organism	Valsa mali	Valsa mali	Inhibition	=	100.0	%	PMID[479409]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	Inhibition	=	100.0	%	PMID[479409]
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	Inhibition	=	38.0	%	PMID[479409]
NPT5412	Organism	Phytophthora parasitica	Phytophthora parasitica	Inhibition	=	14.52	%	PMID[479409]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	Inhibition	=	100.0	%	PMID[479409]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	Inhibition	=	100.0	%	PMID[479410]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	6.5	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	6.7	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	6.4	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	10.1	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	10.2	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	10.5	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	34.1	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	35.4	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	36.7	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	8.47	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	8.61	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	9.73	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	38.9	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	41.6	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	41.7	mg	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	3.9	microg/cm2	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	4.64	microg/cm2	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	4.8	microg/cm2	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	21.9	microg/cm2	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	24.98	microg/cm2	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	25.88	microg/cm2	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	54.14	microg/cm2	PMID[479411]
NPT2976	Organism	Thanatephorus cucumeris	Thanatephorus cucumeris	Activity	=	98.0	%	PMID[479412]
NPT638	Organism	Sclerotinia sclerotiorum	Sclerotinia sclerotiorum	Activity	=	73.3	%	PMID[479412]
NPT6242	Organism	Ceratobasidium cereale	Ceratobasidium cereale	Activity	=	100.0	%	PMID[479412]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	Activity	=	100.0	%	PMID[479412]
NPT825	Organism	Phytophthora infestans	Phytophthora infestans	Activity	=	27.3	%	PMID[479412]
NPT6564	Organism	Macrophoma	Macrophoma	Activity	=	43.8	%	PMID[479412]
NPT4083	Organism	Gibberella fujikuroi	Gibberella fujikuroi	Activity	=	60.0	%	PMID[479412]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	Activity	=	59.3	%	PMID[479412]
NPT2706	Organism	Mycosphaerella arachidis	Mycosphaerella arachidis	Activity	=	53.3	%	PMID[479412]
NPT6392	Organism	Bipolaris maydis	Cochliobolus heterostrophus	Activity	=	69.6	%	PMID[479412]
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	Activity	=	63.0	%	PMID[479412]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	62.46	microg/cm2	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	66.82	microg/cm2	PMID[479411]
NPT3478	Organism	Nicotiana tabacum	Nicotiana tabacum	Activity	=	17.0	%	PMID[479411]
NPT2705	Organism	Alternaria solani	Alternaria solani	Activity	=	76.5	%	PMID[479412]
NPT1494	Organism	Alternaria mali	Alternaria mali	Activity	=	78.6	%	PMID[479412]
NPT2638	Organism	Alternaria kikuchiana	Alternaria kikuchiana	Activity	=	81.8	%	PMID[479412]
NPT1887	Organism	Phytophthora cactorum	Phytophthora cactorum	GI	=	81.0	%	PMID[479413]
NPT1278	Organism	Fusarium culmorum	Fusarium culmorum	GI	=	81.0	%	PMID[479413]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	GI	=	81.0	%	PMID[479413]
NPT962	Organism	Alternaria alternata	Alternaria alternata	MIC	=	75.0	ug.mL-1	PMID[479414]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	1.0	ug.mL-1	PMID[479414]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	0.75	ug.mL-1	PMID[479414]
NPT3685	Organism	Fusarium equiseti	Fusarium equiseti	MIC	=	0.75	ug.mL-1	PMID[479414]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	0.4	ug.mL-1	PMID[479414]
NPT4304	Organism	Macrophomina phaseolina	Macrophomina phaseolina	MIC	=	0.25	ug.mL-1	PMID[479414]
NPT4635	Organism	Colletotrichum truncatum	Colletotrichum truncatum	MIC	=	0.01	ug.mL-1	PMID[479414]
NPT4636	Organism	Diaporthe longicolla	Diaporthe longicolla	MIC	=	0.01	ug.mL-1	PMID[479414]
NPT1318	Organism	Diplodia mutila	Diplodia mutila	EC50	=	0.0	mgAi/L	PMID[479415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	EC50	=	0.061	mgAi/L	PMID[479415]
NPT5416	Organism	Neofusicoccum australe	Neofusicoccum australe	EC50	=	0.023	mgAi/L	PMID[479415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	Activity	=	9.0	%	PMID[479415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	Activity	=	0.0	%	PMID[479415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	Activity	=	3.0	%	PMID[479415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	Activity	=	7.0	%	PMID[479415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	Activity	=	10.0	%	PMID[479415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	Activity	=	27.0	%	PMID[479415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	Activity	=	33.2	mm	PMID[479415]
NPT5014	Organism	Cochliobolus miyabeanus	Cochliobolus miyabeanus	Inhibition	=	78.3	%	PMID[479416]
NPT5014	Organism	Cochliobolus miyabeanus	Cochliobolus miyabeanus	Inhibition	=	85.2	%	PMID[479416]
NPT5014	Organism	Cochliobolus miyabeanus	Cochliobolus miyabeanus	Inhibition	=	98.0	%	PMID[479416]
NPT21	Organism	Aspergillus niger	Aspergillus niger	Inhibition	=	78.6	%	PMID[479416]
NPT21	Organism	Aspergillus niger	Aspergillus niger	Inhibition	=	84.4	%	PMID[479416]
NPT21	Organism	Aspergillus niger	Aspergillus niger	Inhibition	=	98.8	%	PMID[479416]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	>	200.0	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	>	100.0	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	50.0	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	100.0	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	20.0	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	1.4	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	MIC	=	1.0	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	14.13	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	4.513	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	55.87	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	10.92	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	10.16	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	3.52	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	25.18	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	10.85	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	9.72	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	3.24	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	0.68	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	0.1	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	0.64	ug.mL-1	PMID[479417]
NPT1276	Organism	Gibberella zeae	Gibberella zeae	EC50	=	0.47	ug.mL-1	PMID[479417]
NPT2	Others	Unspecified		Ratio EC50	=	1.3	n.a.	PMID[479418]
NPT6303	Organism	Oculimacula yallundae	Oculimacula yallundae	EC50	=	0.03	ug.mL-1	PMID[479418]
NPT6420	Organism	Oculimacula acuformis	Oculimacula acuformis	EC50	=	0.04	ug.mL-1	PMID[479418]
NPT2	Others	Unspecified		Ratio EC50	=	1.0	n.a.	PMID[479418]
NPT6303	Organism	Oculimacula yallundae	Oculimacula yallundae	EC50	=	0.04	ug.mL-1	PMID[479418]
NPT6503	Organism	Mycogone perniciosa	Mycogone perniciosa	ED50	=	0.065	ug ml-1	PMID[479419]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.1	ug.mL-1	PMID[479420]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.5	ug.mL-1	PMID[479420]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.3	ug.mL-1	PMID[479420]
NPT6220	Organism	Monilinia laxa	Monilinia laxa	EC50	=	0.2	ug.mL-1	PMID[479420]
NPT962	Organism	Alternaria alternata	Alternaria alternata	MIC	=	125.0	ug.mL-1	PMID[479421]
NPT1815	Organism	Helminthosporium	Helminthosporium	MIC	=	70.0	ug.mL-1	PMID[479421]
NPT6263	Organism	Pestalotiopsis sp.	Pestalotiopsis sp.	MIC	=	70.0	ug.mL-1	PMID[479421]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	MIC	=	70.0	ug.mL-1	PMID[479421]
NPT962	Organism	Alternaria alternata	Alternaria alternata	GI	=	43.1	%	PMID[479421]
NPT962	Organism	Alternaria alternata	Alternaria alternata	GI	=	56.7	%	PMID[479421]
NPT962	Organism	Alternaria alternata	Alternaria alternata	GI	=	63.0	%	PMID[479421]
NPT962	Organism	Alternaria alternata	Alternaria alternata	GI	=	67.8	%	PMID[479421]
NPT1815	Organism	Helminthosporium	Helminthosporium	GI	=	44.2	%	PMID[479421]
NPT1815	Organism	Helminthosporium	Helminthosporium	GI	=	61.1	%	PMID[479421]
NPT1815	Organism	Helminthosporium	Helminthosporium	GI	=	66.3	%	PMID[479421]
NPT1815	Organism	Helminthosporium	Helminthosporium	GI	=	79.0	%	PMID[479421]
NPT6263	Organism	Pestalotiopsis sp.	Pestalotiopsis sp.	GI	=	47.7	%	PMID[479421]
NPT6263	Organism	Pestalotiopsis sp.	Pestalotiopsis sp.	GI	=	61.3	%	PMID[479421]
NPT6263	Organism	Pestalotiopsis sp.	Pestalotiopsis sp.	GI	=	68.4	%	PMID[479421]
NPT6263	Organism	Pestalotiopsis sp.	Pestalotiopsis sp.	GI	=	70.6	%	PMID[479421]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	GI	=	50.6	%	PMID[479421]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	GI	=	60.3	%	PMID[479421]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	GI	=	73.9	%	PMID[479421]
NPT2241	Organism	Glomerella acutata	Glomerella acutata	GI	=	78.9	%	PMID[479421]
NPT1198	Organism	Magnaporthe grisea	Magnaporthe grisea	Activity	=	58.7	%	PMID[479422]
NPT6473	Organism	Eleusine coracana	Eleusine coracana	Vigour_index	=	621.0	n.a.	PMID[479423]
NPT6473	Organism	Eleusine coracana	Eleusine coracana	Vigour_index	=	612.0	n.a.	PMID[479423]
NPT6473	Organism	Eleusine coracana	Eleusine coracana	Vigour_index	=	579.0	n.a.	PMID[479423]
NPT6473	Organism	Eleusine coracana	Eleusine coracana	Vigour_index	=	567.0	n.a.	PMID[479423]
NPT6473	Organism	Eleusine coracana	Eleusine coracana	Activity	=	87.0	%	PMID[479423]
NPT6473	Organism	Eleusine coracana	Eleusine coracana	Activity	=	85.0	%	PMID[479423]
NPT6473	Organism	Eleusine coracana	Eleusine coracana	Activity	=	84.0	%	PMID[479423]
NPT6473	Organism	Eleusine coracana	Eleusine coracana	Activity	=	82.0	%	PMID[479423]
NPT1198	Organism	Magnaporthe grisea	Magnaporthe grisea	Activity	=	1.0	%	PMID[479423]
NPT1198	Organism	Magnaporthe grisea	Magnaporthe grisea	Activity	=	1.5	%	PMID[479423]
NPT6310	Organism	Bipolaris setariae	Bipolaris setariae	Activity	=	2.0	%	PMID[479423]
NPT6310	Organism	Bipolaris setariae	Bipolaris setariae	Activity	=	3.0	%	PMID[479423]
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	EC50	=	0.05	ug.mL-1	PMID[479424]
NPT1318	Organism	Diplodia mutila	Diplodia mutila	EC50	=	0.01	mgAi/L	PMID[479415]
NPT1319	Organism	Neofusicoccum luteum	Neofusicoccum luteum	EC50	=	0.04	mgAi/L	PMID[479415]
NPT5416	Organism	Neofusicoccum australe	Neofusicoccum australe	EC50	=	0.01	mgAi/L	PMID[479415]
NPT2	Others	Unspecified		Potency	n.a.	20596.2	nM	PMID[479387]
NPT861	Individual Protein	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens	Potency	n.a.	29092.9	nM	PMID[479387]
NPT529	Organism	Rhizoctonia solani	Rhizoctonia solani	Inhibition	=	62.0	%	PMID[479425]
NPT610	Others	Molecular identity unknown		Inhibition	=	74.0	%	PMID[479425]
NPT1526	Organism	Cercospora beticola	Cercospora beticola	Inhibition	=	66.0	%	PMID[479425]
NPT610	Others	Molecular identity unknown		Inhibition	=	75.0	%	PMID[479425]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	Inhibition	=	48.0	%	PMID[479425]
NPT2	Others	Unspecified		Potency	n.a.	3162.3	nM	PMID[479387]
NPT610	Others	Molecular identity unknown		Potency	n.a.	28183.8	nM	PMID[479382]
NPT6014	Organism	Trichinella spiralis	Trichinella spiralis	Inhibition	=	0.0	%	PMID[479426]
NPT6014	Organism	Trichinella spiralis	Trichinella spiralis	Inhibition	=	98.0	%	PMID[479426]
NPT826	Organism	Magnaporthe oryzae	Magnaporthe oryzae	IC50	=	6.3	ug.mL-1	PMID[479427]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	IZ	=	13.0	mm	PMID[479428]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	MIC	=	24.0	ug	PMID[479428]
NPT21	Organism	Aspergillus niger	Aspergillus niger	IZ	=	14.0	mm	PMID[479428]
NPT21	Organism	Aspergillus niger	Aspergillus niger	MIC	=	22.0	ug	PMID[479428]
NPT4083	Organism	Gibberella fujikuroi	Gibberella fujikuroi	IZ	=	15.0	mm	PMID[479428]
NPT4083	Organism	Gibberella fujikuroi	Gibberella fujikuroi	MIC	=	20.0	ug	PMID[479428]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	13.0	mm	PMID[479428]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	24.0	ug	PMID[479428]
NPT610	Others	Molecular identity unknown		IC50	=	6.9	ug.mL-1	PMID[479431]
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	Inhibition	=	94.25	%	PMID[479432]
NPT21	Organism	Aspergillus niger	Aspergillus niger	IZ	=	20.0	mm	PMID[479433]
NPT21	Organism	Aspergillus niger	Aspergillus niger	IZ	=	27.0	mm	PMID[479433]
NPT21	Organism	Aspergillus niger	Aspergillus niger	IZ	=	33.0	mm	PMID[479433]
NPT21	Organism	Aspergillus niger	Aspergillus niger	IZ	=	36.0	mm	PMID[479433]
NPT20	Organism	Candida albicans	Candida albicans	IZ	=	19.0	mm	PMID[479433]
NPT20	Organism	Candida albicans	Candida albicans	IZ	=	24.0	mm	PMID[479433]
NPT20	Organism	Candida albicans	Candida albicans	IZ	=	29.0	mm	PMID[479433]
NPT20	Organism	Candida albicans	Candida albicans	IZ	=	32.0	mm	PMID[479433]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	22.0	mm	PMID[479433]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	27.0	mm	PMID[479433]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	33.0	mm	PMID[479433]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	IZ	=	36.0	mm	PMID[479433]
NPT21	Organism	Aspergillus niger	Aspergillus niger	MIC	=	27.0	ug.mL-1	PMID[479433]
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	28.0	ug.mL-1	PMID[479433]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	27.0	ug.mL-1	PMID[479433]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Hit score	=	0.1738	n.a.	PMID[479434]
NPT1503	Organism	Verticillium dahliae	Verticillium dahliae	MIC	=	7.81	ug.mL-1	PMID[479435]
NPT2648	Organism	Fusarium oxysporum f. sp. vasinfectum	Fusarium oxysporum f. sp. vasinfectum	MIC	=	62.5	ug.mL-1	PMID[479435]
NPT25482	ORGANISM	Cytospora	Cytospora	MIC	=	31.25	ug.mL-1	PMID[479435]
NPT185	Organism	Aspergillus flavus	Aspergillus flavus	MIC	=	7.81	ug.mL-1	PMID[479435]
NPT5368	Organism	Penicillium citrinum	Penicillium citrinum	MIC	=	1.96	ug.mL-1	PMID[479435]
NPT637	Organism	Fusarium oxysporum	Fusarium oxysporum	MIC	=	125.0	ug.mL-1	PMID[479435]
NPT2975	Organism	Colletotrichum orbiculare	Colletotrichum orbiculare	MIC	=	125.0	ug.mL-1	PMID[479435]
NPT3540	Organism	Cochliobolus lunatus	Cochliobolus lunatus	MIC	=	250.0	ug.mL-1	PMID[479435]
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	160.0	nM	PMID[479436]
NPT20	Organism	Candida albicans	Candida albicans	MIC	>	20000.0	nM	PMID[479437]
NPT85	Organism	Filobasidiella neoformans	Cryptococcus neoformans	MIC	>	20000.0	nM	PMID[479437]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	20000.0	nM	PMID[479437]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	>	20000.0	nM	PMID[479437]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	20000.0	nM	PMID[479437]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	>	20000.0	nM	PMID[479437]
NPT2922	Organism	Staphylococcus aureus subsp. aureus	Staphylococcus aureus subsp. aureus	MIC	>	20000.0	nM	PMID[479437]
NPT20950	CELL-LINE	Erythrocyte	n.a.	HC10	>	20.0	uM	PMID[479437]
NPT2645	Organism	Giardia intestinalis	Giardia intestinalis	IC50	=	57.0	nM	PMID[479438]
NPT2	Others	Unspecified		Potency	n.a.	2187.5	nM	PMID[18778877]
NPT2	Others	Unspecified		Potency	n.a.	9770	nM	PMID[19943622]
NPT2	Others	Unspecified		Potency	n.a.	6859	nM	PMID[18817444]
NPT2	Others	Unspecified		Potency	n.a.	1949.6	nM	PMID[17958396]
NPT2	Others	Unspecified		Potency	n.a.	27306	nM	PMID[21982797]
NPT2	Others	Unspecified		Potency	n.a.	12197.2	nM	Open TG-GATES in vivo data: Organ Weight
NPT2	Others	Unspecified		Potency	n.a.	34376.2	nM	PMID[24300736]
NPT2	Others	Unspecified		Potency	n.a.	5448.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	7695.9	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		Potency	n.a.	17376	nM	DailyMed
NPT2	Others	Unspecified		Potency	n.a.	5494.1	nM	DOI[10.6019/CHEMBL1201861]
NPT2	Others	Unspecified		Potency	n.a.	24336.5	nM	PMID[18681480]
NPT2	Others	Unspecified		Potency	n.a.	13685.4	nM	PMID[18715034]
NPT2	Others	Unspecified		Potency	n.a.	61644.8	nM	PMID[18494522]
NPT2	Others	Unspecified		Potency	n.a.	6165.2	nM	PMID[20429578]
NPT2	Others	Unspecified		Potency	n.a.	9688.5	nM	PMID[19651906]
NPT74	Individual Protein	Proto-oncogene c-JUN	Homo sapiens	Potency	n.a.	54947.7	nM	PMID[24828374]
NPT2	Others	Unspecified		Potency	n.a.	6917.5	nM	PMID[10479316]
NPT2	Others	Unspecified		Potency	n.a.	34376.2	nM	PMID[17194596]
NPT2	Others	Unspecified		Potency	n.a.	8634.9	nM	PMID[20619511]
NPT2	Others	Unspecified		Potency	n.a.	6859	nM	PMID[19848432]
NPT2	Others	Unspecified		Potency	n.a.	13.8	nM	PMID[24571273]
NPT2	Others	Unspecified		Potency	n.a.	3467	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	7695.9	nM	PMID[9784111]
NPT2	Others	Unspecified		Potency	n.a.	5494.1	nM	PMID[17485145]
NPT2	Others	Unspecified		Potency	n.a.	4855.8	nM	PMID[18809939]
NPT2	Others	Unspecified		Potency	n.a.	6113.1	nM	DrugMatrix in vivo data: Biochemistry
NPT2	Others	Unspecified		Potency	n.a.	7695.9	nM	DrugMatrix in vivo data: Hematology
NPT2	Others	Unspecified		Potency	n.a.	4855.8	nM	PMID[23395661]
NPT2	Others	Unspecified		Potency	n.a.	61652.4	nM	PMID[20022253]
NPT2	Others	Unspecified		Potency	n.a.	8634.9	nM	PMID[1336040]
NPT2	Others	Unspecified		Potency	n.a.	863.5	nM	PMID[11421737]
NPT2	Others	Unspecified		Potency	n.a.	6113.1	nM	PMID[25442304]
NPT2	Others	Unspecified		Potency	n.a.	4327.7	nM	PMID[22037378]
NPT2	Others	Unspecified		Potency	n.a.	3889.5	nM	PMID[12828480]
NPT2	Others	Unspecified		Potency	n.a.	24544.2	nM	DrugMatrix in vitro pharmacology data
NPT2	Others	Unspecified		Potency	n.a.	54482.7	nM	PMID[22824205]

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC42483 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	1174
0.1-0.2	16070
0.2-0.3	17744
0.3-0.4	3585
0.4-0.5	2292
0.5-0.6	1614
0.6-0.7	201
0.7-0.8	10
0.8-0.85	2
0.85-0.9	2
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9124	High Similarity	NPC216159
0.8645	High Similarity	NPC314557
0.8535	High Similarity	NPC315715
0.8378	Intermediate Similarity	NPC114209
0.7949	Intermediate Similarity	NPC300238
0.7421	Intermediate Similarity	NPC120070
0.7389	Intermediate Similarity	NPC282531
0.7211	Intermediate Similarity	NPC75999
0.6981	Remote Similarity	NPC204141
0.6972	Remote Similarity	NPC143156
0.6959	Remote Similarity	NPC317054
0.6939	Remote Similarity	NPC41174
0.6932	Remote Similarity	NPC476341
0.6859	Remote Similarity	NPC125746
0.6835	Remote Similarity	NPC115611
0.6826	Remote Similarity	NPC470204
0.6791	Remote Similarity	NPC317642
0.6786	Remote Similarity	NPC470203
0.6731	Remote Similarity	NPC198988
0.673	Remote Similarity	NPC284635
0.6708	Remote Similarity	NPC242556
0.6688	Remote Similarity	NPC325252
0.6688	Remote Similarity	NPC22079
0.6686	Remote Similarity	NPC253687
0.6667	Remote Similarity	NPC49217
0.6646	Remote Similarity	NPC190296
0.6645	Remote Similarity	NPC250361
0.6627	Remote Similarity	NPC122141
0.6623	Remote Similarity	NPC473587
0.6587	Remote Similarity	NPC471458
0.6587	Remote Similarity	NPC476219
0.6587	Remote Similarity	NPC476297
0.6585	Remote Similarity	NPC201380
0.6585	Remote Similarity	NPC179787
0.6584	Remote Similarity	NPC197068
0.6582	Remote Similarity	NPC218268
0.6581	Remote Similarity	NPC475428
0.6571	Remote Similarity	NPC24060
0.6564	Remote Similarity	NPC470440
0.6564	Remote Similarity	NPC314372
0.6558	Remote Similarity	NPC473762
0.6545	Remote Similarity	NPC321911
0.6545	Remote Similarity	NPC124005
0.6545	Remote Similarity	NPC37548
0.6538	Remote Similarity	NPC179365
0.6538	Remote Similarity	NPC475450
0.6524	Remote Similarity	NPC63545
0.6524	Remote Similarity	NPC143872
0.6509	Remote Similarity	NPC299594
0.6508	Remote Similarity	NPC469308
0.6497	Remote Similarity	NPC240088
0.6497	Remote Similarity	NPC473380
0.6488	Remote Similarity	NPC470507
0.6485	Remote Similarity	NPC471957
0.6485	Remote Similarity	NPC469811
0.648	Remote Similarity	NPC282247
0.648	Remote Similarity	NPC47596
0.6477	Remote Similarity	NPC71238
0.6467	Remote Similarity	NPC469975
0.6463	Remote Similarity	NPC159856
0.6461	Remote Similarity	NPC265710
0.646	Remote Similarity	NPC88097
0.6453	Remote Similarity	NPC247987
0.6444	Remote Similarity	NPC471609
0.6438	Remote Similarity	NPC84911
0.6433	Remote Similarity	NPC473320
0.6425	Remote Similarity	NPC16659
0.6412	Remote Similarity	NPC236711
0.6407	Remote Similarity	NPC105818
0.6407	Remote Similarity	NPC24678
0.6398	Remote Similarity	NPC8590
0.6395	Remote Similarity	NPC225018
0.6395	Remote Similarity	NPC224632
0.6392	Remote Similarity	NPC116555
0.6392	Remote Similarity	NPC473930
0.6391	Remote Similarity	NPC38736
0.6379	Remote Similarity	NPC470509
0.6378	Remote Similarity	NPC54981
0.6375	Remote Similarity	NPC96102
0.6375	Remote Similarity	NPC29886
0.6375	Remote Similarity	NPC261195
0.6358	Remote Similarity	NPC311276
0.6358	Remote Similarity	NPC73767
0.6358	Remote Similarity	NPC110126
0.6358	Remote Similarity	NPC271734
0.6353	Remote Similarity	NPC285469
0.6353	Remote Similarity	NPC184476
0.6347	Remote Similarity	NPC187951
0.6345	Remote Similarity	NPC471603
0.6343	Remote Similarity	NPC278874
0.6341	Remote Similarity	NPC187145
0.6335	Remote Similarity	NPC105127
0.6331	Remote Similarity	NPC325903
0.6331	Remote Similarity	NPC469763
0.6331	Remote Similarity	NPC469765
0.6331	Remote Similarity	NPC73952
0.6331	Remote Similarity	NPC25008
0.6331	Remote Similarity	NPC259644
0.6331	Remote Similarity	NPC469786
0.6331	Remote Similarity	NPC469760
0.6331	Remote Similarity	NPC232798
0.6329	Remote Similarity	NPC82295
0.6325	Remote Similarity	NPC129042
0.6319	Remote Similarity	NPC469767
0.6319	Remote Similarity	NPC469761
0.6319	Remote Similarity	NPC469784
0.6319	Remote Similarity	NPC2949
0.6319	Remote Similarity	NPC469779
0.6319	Remote Similarity	NPC469780
0.6319	Remote Similarity	NPC59084
0.6319	Remote Similarity	NPC469768
0.6319	Remote Similarity	NPC469783
0.6316	Remote Similarity	NPC469762
0.6298	Remote Similarity	NPC307191
0.6294	Remote Similarity	NPC212376
0.6294	Remote Similarity	NPC211572
0.6294	Remote Similarity	NPC80597
0.6294	Remote Similarity	NPC70922
0.6294	Remote Similarity	NPC75540
0.628	Remote Similarity	NPC473868
0.628	Remote Similarity	NPC63157
0.628	Remote Similarity	NPC88121
0.628	Remote Similarity	NPC469766
0.6272	Remote Similarity	NPC216713
0.6271	Remote Similarity	NPC476686
0.6271	Remote Similarity	NPC105758
0.6271	Remote Similarity	NPC476688
0.6264	Remote Similarity	NPC8104
0.6259	Remote Similarity	NPC213774
0.6259	Remote Similarity	NPC314141
0.6257	Remote Similarity	NPC469785
0.625	Remote Similarity	NPC288445
0.6243	Remote Similarity	NPC88110
0.622	Remote Similarity	NPC279081
0.6218	Remote Similarity	NPC243319
0.6209	Remote Similarity	NPC314394
0.6207	Remote Similarity	NPC282231
0.6207	Remote Similarity	NPC16667
0.6196	Remote Similarity	NPC104049
0.618	Remote Similarity	NPC470498
0.6171	Remote Similarity	NPC476118
0.6171	Remote Similarity	NPC40779
0.6167	Remote Similarity	NPC151635
0.6163	Remote Similarity	NPC141353
0.6159	Remote Similarity	NPC312092
0.6158	Remote Similarity	NPC317430
0.6149	Remote Similarity	NPC279918
0.6145	Remote Similarity	NPC208060
0.6145	Remote Similarity	NPC472123
0.6141	Remote Similarity	NPC108011
0.614	Remote Similarity	NPC200214
0.6139	Remote Similarity	NPC267811
0.6133	Remote Similarity	NPC84268
0.6131	Remote Similarity	NPC478186
0.6127	Remote Similarity	NPC474430
0.6124	Remote Similarity	NPC164664
0.6124	Remote Similarity	NPC69843
0.6121	Remote Similarity	NPC230002
0.612	Remote Similarity	NPC477891
0.6115	Remote Similarity	NPC151779
0.6108	Remote Similarity	NPC188387
0.6108	Remote Similarity	NPC163421
0.6105	Remote Similarity	NPC207726
0.6102	Remote Similarity	NPC54988
0.6102	Remote Similarity	NPC49954
0.6102	Remote Similarity	NPC160105
0.6102	Remote Similarity	NPC474561
0.6099	Remote Similarity	NPC219336
0.6095	Remote Similarity	NPC477134
0.6095	Remote Similarity	NPC470111
0.6095	Remote Similarity	NPC21605
0.6093	Remote Similarity	NPC148140
0.6092	Remote Similarity	NPC92796
0.6092	Remote Similarity	NPC230869
0.6092	Remote Similarity	NPC135141
0.6087	Remote Similarity	NPC139291
0.6087	Remote Similarity	NPC472108
0.6087	Remote Similarity	NPC48938
0.608	Remote Similarity	NPC206148
0.608	Remote Similarity	NPC162268
0.608	Remote Similarity	NPC21174
0.608	Remote Similarity	NPC271797
0.608	Remote Similarity	NPC317105
0.6077	Remote Similarity	NPC156003
0.6075	Remote Similarity	NPC62749
0.6074	Remote Similarity	NPC195704
0.6074	Remote Similarity	NPC14448
0.6074	Remote Similarity	NPC200397
0.6074	Remote Similarity	NPC98156
0.6074	Remote Similarity	NPC167200
0.6074	Remote Similarity	NPC292434
0.6074	Remote Similarity	NPC138596
0.6074	Remote Similarity	NPC64661
0.6066	Remote Similarity	NPC469896
0.6064	Remote Similarity	NPC469501
0.6064	Remote Similarity	NPC469470
0.6061	Remote Similarity	NPC104483
0.6059	Remote Similarity	NPC2272
0.6057	Remote Similarity	NPC131718
0.6056	Remote Similarity	NPC34508

Chemically structural similarity: II. Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC42483 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	331
0.1-0.2	1156
0.2-0.3	1374
0.3-0.4	2322
0.4-0.5	2312
0.5-0.6	1302
0.6-0.7	299
0.7-0.8	51
0.8-0.85	0
0.85-0.9	2
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD9724	Phase 1
0.8816	High Similarity	NPD773	Approved
0.859	High Similarity	NPD1569	Phase 2
0.7974	Intermediate Similarity	NPD2128	Phase 1
0.7929	Intermediate Similarity	NPD2892	Phase 1
0.7882	Intermediate Similarity	NPD1896	Approved
0.7862	Intermediate Similarity	NPD509	Phase 3
0.7857	Intermediate Similarity	NPD2660	Approved
0.7857	Intermediate Similarity	NPD2662	Approved
0.7746	Intermediate Similarity	NPD1871	Approved
0.7746	Intermediate Similarity	NPD774	Phase 3
0.7725	Intermediate Similarity	NPD4441	Phase 2
0.7702	Intermediate Similarity	NPD2392	Clinical (unspecified phase)
0.7702	Intermediate Similarity	NPD2478	Clinical (unspecified phase)
0.7595	Intermediate Similarity	NPD2927	Phase 3
0.75	Intermediate Similarity	NPD702	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD4213	Clinical (unspecified phase)
0.7457	Intermediate Similarity	NPD1043	Phase 3
0.744	Intermediate Similarity	NPD676	Discontinued
0.7412	Intermediate Similarity	NPD3512	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD9254	Phase 3
0.7384	Intermediate Similarity	NPD2591	Phase 2
0.7349	Intermediate Similarity	NPD1567	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD174	Discontinued
0.7317	Intermediate Similarity	NPD3889	Approved
0.7305	Intermediate Similarity	NPD5996	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD1015	Phase 2
0.7301	Intermediate Similarity	NPD1016	Phase 2
0.7273	Intermediate Similarity	NPD1215	Discontinued
0.7273	Intermediate Similarity	NPD6794	Approved
0.7268	Intermediate Similarity	NPD6403	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD4649	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD3418	Clinical (unspecified phase)
0.7235	Intermediate Similarity	NPD40	Phase 2
0.7235	Intermediate Similarity	NPD5730	Phase 2
0.7212	Intermediate Similarity	NPD1313	Approved
0.7212	Intermediate Similarity	NPD1333	Phase 3
0.7205	Intermediate Similarity	NPD3405	Phase 3
0.7193	Intermediate Similarity	NPD5962	Phase 2
0.7188	Intermediate Similarity	NPD2524	Discontinued
0.7184	Intermediate Similarity	NPD2793	Discontinued
0.7151	Intermediate Similarity	NPD412	Approved
0.7135	Intermediate Similarity	NPD3485	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD7709	Discontinued
0.7118	Intermediate Similarity	NPD5943	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD2138	Approved
0.711	Intermediate Similarity	NPD2137	Approved
0.7102	Intermediate Similarity	NPD7884	Discontinued
0.7097	Intermediate Similarity	NPD758	Approved
0.7091	Intermediate Similarity	NPD2149	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD418	Approved
0.7076	Intermediate Similarity	NPD5013	Approved
0.7059	Intermediate Similarity	NPD7006	Approved
0.7052	Intermediate Similarity	NPD1895	Discontinued
0.7049	Intermediate Similarity	NPD6145	Phase 1
0.7041	Intermediate Similarity	NPD3347	Clinical (unspecified phase)
0.7022	Intermediate Similarity	NPD3419	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD1030	Approved
0.7019	Intermediate Similarity	NPD1027	Approved
0.7019	Intermediate Similarity	NPD1029	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1037	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD3378	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD2480	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD7722	Suspended
0.6982	Remote Similarity	NPD2875	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD1327	Discontinued
0.6936	Remote Similarity	NPD2930	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD966	Clinical (unspecified phase)
0.6893	Remote Similarity	NPD3913	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD1272	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD680	Discontinued
0.6864	Remote Similarity	NPD3361	Phase 1
0.6851	Remote Similarity	NPD460	Discontinued
0.6842	Remote Similarity	NPD6827	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD6828	Phase 2
0.6831	Remote Similarity	NPD1174	Phase 2
0.6831	Remote Similarity	NPD2880	Discontinued
0.6829	Remote Similarity	NPD1303	Phase 1
0.6823	Remote Similarity	NPD7276	Approved
0.6823	Remote Similarity	NPD7277	Approved
0.6805	Remote Similarity	NPD5269	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD8257	Approved
0.6804	Remote Similarity	NPD8258	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD8256	Approved
0.6798	Remote Similarity	NPD5757	Discontinued
0.6798	Remote Similarity	NPD2963	Phase 1
0.6798	Remote Similarity	NPD645	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD4940	Approved
0.6776	Remote Similarity	NPD2316	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD6328	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD2794	Discontinued
0.6766	Remote Similarity	NPD1042	Clinical (unspecified phase)
0.676	Remote Similarity	NPD2009	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD809	Discontinued
0.6747	Remote Similarity	NPD1290	Phase 2
0.6743	Remote Similarity	NPD3341	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD695	Discontinued
0.6727	Remote Similarity	NPD491	Approved
0.6725	Remote Similarity	NPD9582	Phase 3
0.6722	Remote Similarity	NPD5016	Approved
0.6722	Remote Similarity	NPD207	Discontinued
0.6704	Remote Similarity	NPD4902	Discontinued
0.6703	Remote Similarity	NPD6619	Phase 3
0.6703	Remote Similarity	NPD6577	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD3521	Phase 2
0.6684	Remote Similarity	NPD8410	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1690	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6265	Discontinued
0.6646	Remote Similarity	NPD1262	Discovery
0.6633	Remote Similarity	NPD1744	Approved
0.663	Remote Similarity	NPD1250	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD2333	Discontinued
0.6615	Remote Similarity	NPD1600	Suspended
0.6614	Remote Similarity	NPD2364	Suspended
0.6613	Remote Similarity	NPD6468	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD3287	Clinical (unspecified phase)
0.6613	Remote Similarity	NPD6469	Phase 3
0.6611	Remote Similarity	NPD6721	Phase 1
0.6611	Remote Similarity	NPD6047	Phase 1
0.6607	Remote Similarity	NPD1869	Phase 2
0.6606	Remote Similarity	NPD9709	Approved
0.6606	Remote Similarity	NPD9708	Approved
0.6598	Remote Similarity	NPD8458	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD4458	Phase 2
0.6596	Remote Similarity	NPD4459	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD2931	Phase 1
0.6584	Remote Similarity	NPD3834	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD1592	Phase 3
0.6583	Remote Similarity	NPD4414	Discontinued
0.6579	Remote Similarity	NPD7103	Approved
0.6578	Remote Similarity	NPD6264	Discontinued
0.6576	Remote Similarity	NPD3403	Clinical (unspecified phase)
0.6575	Remote Similarity	NPD3002	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD8316	Phase 2
0.6569	Remote Similarity	NPD8317	Phase 2
0.6564	Remote Similarity	NPD8488	Clinical (unspecified phase)
0.655	Remote Similarity	NPD5001	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD428	Approved
0.6545	Remote Similarity	NPD2008	Discontinued
0.6545	Remote Similarity	NPD426	Approved
0.6545	Remote Similarity	NPD427	Approved
0.6545	Remote Similarity	NPD162	Approved
0.6533	Remote Similarity	NPD5884	Clinical (unspecified phase)
0.6508	Remote Similarity	NPD4318	Clinical (unspecified phase)
0.6506	Remote Similarity	NPD4463	Approved
0.6506	Remote Similarity	NPD4462	Approved
0.6497	Remote Similarity	NPD2731	Phase 2
0.6494	Remote Similarity	NPD4024	Phase 3
0.6492	Remote Similarity	NPD1915	Phase 1
0.648	Remote Similarity	NPD1707	Approved
0.648	Remote Similarity	NPD1708	Approved
0.6477	Remote Similarity	NPD2829	Clinical (unspecified phase)
0.6477	Remote Similarity	NPD2442	Approved
0.6477	Remote Similarity	NPD2443	Approved
0.6477	Remote Similarity	NPD4128	Approved
0.6474	Remote Similarity	NPD438	Approved
0.6474	Remote Similarity	NPD439	Approved
0.6471	Remote Similarity	NPD691	Discontinued
0.6467	Remote Similarity	NPD1257	Approved
0.6467	Remote Similarity	NPD459	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD3612	Phase 2
0.6462	Remote Similarity	NPD949	Phase 1
0.645	Remote Similarity	NPD2150	Discontinued
0.6444	Remote Similarity	NPD1332	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD2111	Clinical (unspecified phase)
0.6441	Remote Similarity	NPD2406	Clinical (unspecified phase)
0.6436	Remote Similarity	NPD5885	Approved
0.6432	Remote Similarity	NPD4615	Phase 2
0.6429	Remote Similarity	NPD2411	Approved
0.6429	Remote Similarity	NPD7656	Approved
0.6429	Remote Similarity	NPD7657	Approved
0.6425	Remote Similarity	NPD717	Approved
0.6416	Remote Similarity	NPD1002	Clinical (unspecified phase)
0.6412	Remote Similarity	NPD5300	Clinical (unspecified phase)
0.641	Remote Similarity	NPD5072	Discontinued
0.6409	Remote Similarity	NPD2456	Phase 2
0.6409	Remote Similarity	NPD2457	Phase 2
0.6409	Remote Similarity	NPD5463	Clinical (unspecified phase)
0.6407	Remote Similarity	NPD3835	Phase 3
0.6407	Remote Similarity	NPD3833	Phase 3
0.6404	Remote Similarity	NPD2955	Approved
0.6404	Remote Similarity	NPD2954	Approved
0.6404	Remote Similarity	NPD4181	Approved
0.6392	Remote Similarity	NPD4612	Discontinued
0.6384	Remote Similarity	NPD2928	Phase 2
0.6384	Remote Similarity	NPD924	Discontinued
0.6383	Remote Similarity	NPD3830	Phase 1
0.6382	Remote Similarity	NPD5787	Discontinued
0.6382	Remote Similarity	NPD1561	Phase 2
0.6379	Remote Similarity	NPD761	Approved
0.6379	Remote Similarity	NPD741	Approved
0.6378	Remote Similarity	NPD2540	Clinical (unspecified phase)
0.6375	Remote Similarity	NPD198	Clinical (unspecified phase)
0.6373	Remote Similarity	NPD4023	Clinical (unspecified phase)
0.6368	Remote Similarity	NPD1838	Clinical (unspecified phase)
0.6368	Remote Similarity	NPD6816	Phase 3
0.6368	Remote Similarity	NPD6210	Phase 3
0.6359	Remote Similarity	NPD6545	Clinical (unspecified phase)
0.6358	Remote Similarity	NPD786	Approved
0.6358	Remote Similarity	NPD4811	Discontinued

Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data