NPASS Compound

Structure

NPC478575 OpenBabel06302216112D 31 33 0 0 1 0 0 0 0 0999 V2000 6.1621 -2.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -3.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 6 7 1 0 0 0 0 6 10 1 6 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 6 0 0 0 16 17 1 0 0 0 0 16 19 1 1 0 0 0 17 18 1 6 0 0 0 20 19 1 6 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	449.28
Volume:	428.026
LogP:	-2.093
LogD:	-1.291
LogS:	-0.806
# Rotatable Bonds:	6
TPSA:	213.72
# H-Bond Aceptor:	12
# H-Bond Donor:	12
# Rings:	3
# Heavy Atoms:	12

MedChem Properties

QED Drug-Likeness Score:	0.195
Synthetic Accessibility Score:	5.169
Fsp3:	1.0
Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	1
Golden Triangle Rule:	Accepted
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-6.248
MDCK Permeability:	9.719591616885737e-05
Pgp-inhibitor:	0.0
Pgp-substrate:	0.474
Human Intestinal Absorption (HIA):	0.998
20% Bioavailability (F20%):	1.0
30% Bioavailability (F30%):	1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.162
Plasma Protein Binding (PPB):	14.04037857055664%
Volume Distribution (VD):	0.339
Pgp-substrate:	88.07754516601562%

ADMET: Metabolism

CYP1A2-inhibitor:	0.007
CYP1A2-substrate:	0.017
CYP2C19-inhibitor:	0.018
CYP2C19-substrate:	0.064
CYP2C9-inhibitor:	0.001
CYP2C9-substrate:	0.004
CYP2D6-inhibitor:	0.003
CYP2D6-substrate:	0.215
CYP3A4-inhibitor:	0.009
CYP3A4-substrate:	0.174

ADMET: Excretion

Clearance (CL):	1.082
Half-life (T1/2):	0.809

ADMET: Toxicity

hERG Blockers:	0.187
Human Hepatotoxicity (H-HT):	0.279
Drug-inuced Liver Injury (DILI):	0.046
AMES Toxicity:	0.06
Rat Oral Acute Toxicity:	0.045
Maximum Recommended Daily Dose:	0.94
Skin Sensitization:	0.854
Carcinogencity:	0.025
Eye Corrosion:	0.003
Eye Irritation:	0.03
Respiratory Toxicity:	0.471

Download Data

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

Natural Product: NPC478575

Natural Product ID:	NPC478575
*Common Name:**	VEGXETMJINRLTH-BOZYPMBZSA-N
IUPAC Name:	n.a.
Synonyms:
Standard InCHIKey:	VEGXETMJINRLTH-BOZYPMBZSA-N
Standard InCHI:	InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
SMILES:	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H](CC[C@@H](CN)O1)N)N)N)O
Synthetic Gene Cluster:	BGC0000696;
ChEMBL Identifier:	n.a.
PubChem CID:	72396
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0004603] Organic oxygen compounds [CHEMONTID:0000323] Organooxygen compounds [CHEMONTID:0000011] Carbohydrates and carbohydrate conjugates [CHEMONTID:0003305] Aminosaccharides [CHEMONTID:0000282] Aminoglycosides [CHEMONTID:0001675] Aminocyclitol glycosides

*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
NPO25967	Mallotus philippensis	Species	Euphorbiaceae	Eukaryota	n.a.	fruit	n.a.	PMID[12499591]
NPO25967	Mallotus philippensis	Species	Euphorbiaceae	Eukaryota	n.a.	fruit	n.a.	PMID[15516755]
NPO40482	Isaria farinosa	Species	Cordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15568775]
NPO40482	Isaria farinosa	Species	Cordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15921439]
NPO32815	micromonospora sp.	Species	Micromonosporaceae	Bacteria	n.a.	n.a.	n.a.	PMID[22250891]
NPO32815	micromonospora sp.	Species	Micromonosporaceae	Bacteria	n.a.	n.a.	n.a.	PMID[25375258]
NPO19028	Dysidea granulosa	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[25863431]
NPO32815	micromonospora sp.	Species	Micromonosporaceae	Bacteria	n.a.	n.a.	n.a.	PMID[26444379]
NPO40080	Colletotrichum sp. BS4	Strain	Glomerellaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26905687]
NPO40894	0cardia spp.	Species	0cardiaceae	Bacteria	n.a.	n.a.	n.a.	PMID[27187871]
NPO40713	Cyathus cf. striatus	Strain	Nidulariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27231731]
NPO40870	Lamellodysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[27399938]
NPO19028	Dysidea granulosa	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[27399938]
NPO32815	micromonospora sp.	Species	Micromonosporaceae	Bacteria	n.a.	n.a.	n.a.	PMID[27813411]
NPO40418	Actinoallomurus sp. ID145113	Strain	Thermomonosporaceae	Bacteria	n.a.	n.a.	n.a.	PMID[28218529]
NPO40773	Topsentia sp.	Species		Eukaryota	n.a.	n.a.	n.a.	PMID[28837335]
NPO40377	Thalassospira profundimaris	Species	n.a.	Bacteria	n.a.	n.a.	n.a.	PMID[28840714]
NPO40379	Thermoactinomyces vulgaris	Species	Thermoactinomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[28841315]
NPO41037	Serratia plymuthica MF371-2	Strain	Yersiniaceae	Bacteria	n.a.	n.a.	n.a.	PMID[29083894]
NPO40204	Millettia extensa	Species	Fabaceae	Eukaryota	Stems	n.a.	n.a.	PMID[30106294]
NPO25967	Mallotus philippensis	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31318550]
NPO40204	Millettia extensa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31403786]
NPO40729	Streptomyces sp. ZZ741	Strain	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[31584271]
NPO40350	Sparticola junci	Species	Sporormiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31599583]
NPO32815	micromonospora sp.	Species	Micromonosporaceae	Bacteria	n.a.	n.a.	n.a.	PMID[31794218]
NPO19028	Dysidea granulosa	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[31990554]
NPO40482	Isaria farinosa	Species	Cordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33021377]
NPO25967	Mallotus philippensis	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19028	Dysidea granulosa	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO25967	Mallotus philippensis	Species	Euphorbiaceae	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
IC50	1
MIC	395
Others	135

Activity Type	# Activity
Cell Line	4
NON-MOLECULAR	55
Organism	463
Others	9

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT65	Cell Line	HepG2	Homo sapiens	CC50	>	300000.0	nM	PMID[26734854]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	>	300000.0	nM	PMID[26734854]
NPT1886	Cell Line	J774	Mus musculus	Activity	=	88.4	%	PMID[30282323]
NPT1886	Cell Line	J774	Mus musculus	Activity	=	82.9	%	PMID[30282323]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2.0	ug.mL-1	DOI[10.1039/C4MD00525B]
NPT3699	Organism	Pseudomonas sp.	Pseudomonas sp.	MIC	=	8.0	ug.mL-1	DOI[10.1039/C4MD00525B]
NPT1140	Organism	Escherichia coli ATCC 8739	Escherichia coli ATCC 8739	MIC	=	2.0	ug.mL-1	PMID[26542964]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	4.0	ug.mL-1	PMID[26542964]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	=	4.0	ug.mL-1	PMID[26542964]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	22.0	ug.mL-1	PMID[26542964]
NPT3145	Organism	Bacillus subtilis subsp. spizizenii ATCC 6633	Bacillus subtilis subsp. spizizenii ATCC 6633	MIC	=	45.0	ug.mL-1	PMID[26542964]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	10.0	ug.mL-1	PMID[26542964]
NPT1140	Organism	Escherichia coli ATCC 8739	Escherichia coli ATCC 8739	MBC99.9	=	8.0	ug ml-1	PMID[26542964]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MBC99.9	=	16.0	ug ml-1	PMID[26542964]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MBC99.9	=	8.0	ug ml-1	PMID[26542964]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC99.9	=	50.0	ug ml-1	PMID[26542964]
NPT3145	Organism	Bacillus subtilis subsp. spizizenii ATCC 6633	Bacillus subtilis subsp. spizizenii ATCC 6633	MBC99.9	=	80.0	ug ml-1	PMID[26542964]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MBC99.9	=	22.0	ug ml-1	PMID[26542964]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.0	ug.mL-1	PMID[26590102]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2.0	ug.mL-1	PMID[26590102]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	2.0	ug.mL-1	PMID[26590102]
NPT1246	Organism	Salmonella	Salmonella	MIC	=	2.0	ug.mL-1	PMID[26590102]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	9.0	mm	PMID[26706167]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	12.0	mm	PMID[26706167]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	8.0	mm	PMID[26706167]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	12.0	mm	PMID[26706167]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	30.0	mm	DOI[10.1039/C5MD00140D]
NPT314	Organism	Bacillus cereus	Bacillus cereus	IZ	=	35.0	mm	DOI[10.1039/C5MD00140D]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	27.0	mm	DOI[10.1039/C5MD00140D]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	31.0	mm	DOI[10.1039/C5MD00140D]
NPT172	Organism	Proteus mirabilis	Proteus mirabilis	IZ	=	28.0	mm	DOI[10.1039/C5MD00140D]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	32.0	mm	DOI[10.1039/C5MD00140D]
NPT314	Organism	Bacillus cereus	Bacillus cereus	IZ	=	36.0	mm	DOI[10.1039/C5MD00140D]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	30.0	mm	DOI[10.1039/C5MD00140D]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	32.0	mm	DOI[10.1039/C5MD00140D]
NPT172	Organism	Proteus mirabilis	Proteus mirabilis	IZ	=	31.0	mm	DOI[10.1039/C5MD00140D]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.005	ug.mL-1	PMID[26725026]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[26725026]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.025	ug.mL-1	PMID[26725026]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	0.05	ug.mL-1	PMID[26725026]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8.0	ug.mL-1	PMID[26684850]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	32.0	ug.mL-1	PMID[26684850]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	128.0	ug.mL-1	PMID[26684850]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	512.0	ug.mL-1	PMID[26684850]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	=	64.0	ug.mL-1	PMID[26684850]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	32.0	ug.mL-1	PMID[26684850]
NPT1548	Organism	Pseudomonas aeruginosa PAO1	Pseudomonas aeruginosa PAO1	MIC	=	128.0	ug.mL-1	PMID[26827160]
NPT1548	Organism	Pseudomonas aeruginosa PAO1	Pseudomonas aeruginosa PAO1	MIC	=	1.0	ug.mL-1	PMID[26827160]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[26827160]
NPT1548	Organism	Pseudomonas aeruginosa PAO1	Pseudomonas aeruginosa PAO1	MIC	=	0.5	ug.mL-1	PMID[26827160]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	PMID[26827160]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	128.0	ug.mL-1	PMID[26827160]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.25	ug.mL-1	PMID[26734854]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.25	ug.mL-1	PMID[26734854]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	8.0	ug.mL-1	PMID[26734854]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	>	32.0	ug.mL-1	PMID[26734854]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	32.0	ug.mL-1	PMID[26734854]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[26734854]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	32.0	ug.mL-1	PMID[26734854]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	32.0	ug.mL-1	PMID[26734854]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	>	32.0	ug.mL-1	PMID[26734854]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	>	32.0	ug.mL-1	PMID[26734854]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	1.0	ug.mL-1	PMID[26734854]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	PMID[26734854]
NPT27	Others	Unspecified		CC50	=	33.0	ug.mL-1	PMID[26734854]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC90	=	1400.0	nM	DOI[10.1039/C5MD00325C]
NPT4077	Organism	Escherichia coli DH5[alpha]	Escherichia coli DH5[alpha]	MIC90	=	1000.0	nM	DOI[10.1039/C5MD00325C]
NPT4077	Organism	Escherichia coli DH5[alpha]	Escherichia coli DH5[alpha]	MIC90	=	500.0	nM	DOI[10.1039/C5MD00325C]
NPT4077	Organism	Escherichia coli DH5[alpha]	Escherichia coli DH5[alpha]	MIC90	<	250.0	nM	DOI[10.1039/C5MD00325C]
NPT4077	Organism	Escherichia coli DH5[alpha]	Escherichia coli DH5[alpha]	MIC90	=	250.0	nM	DOI[10.1039/C5MD00325C]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	>	8.0	ug.mL-1	DOI[10.1039/C5MD00377F]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	<=	1.0	ug.mL-1	DOI[10.1039/C5MD00377F]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	4.0	ug.mL-1	DOI[10.1039/C5MD00377F]
NPT720	Organism	Enterobacter aerogenes	Enterobacter aerogenes	MIC	=	1040.0	nM	PMID[27387357]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	2090.0	nM	PMID[27387357]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	2090.0	nM	PMID[27387357]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	8300.0	nM	PMID[27387357]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	>	32.0	ug.mL-1	PMID[27524179]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	>	0.5	ug.mL-1	PMID[27524179]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	32.0	ug.mL-1	PMID[27524179]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	4.0	ug.mL-1	PMID[27524179]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	8.0	ug.mL-1	PMID[27524179]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	16.0	ug.mL-1	PMID[27524179]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IZ	=	26.5	mm	PMID[27554444]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IZ	=	25.0	mm	PMID[27554444]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IZ	=	20.8	mm	PMID[27554444]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IZ	=	19.0	mm	PMID[27554444]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	2.0	ug.mL-1	PMID[27554444]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	0.5	ug.mL-1	PMID[27554444]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	1.0	ug.mL-1	PMID[27554444]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	0.25	ug.mL-1	PMID[27690420]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	0.5	ug.mL-1	PMID[27690420]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	1.0	ug.mL-1	PMID[27690420]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	>	128.0	ug.mL-1	PMID[27690420]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	4.0	ug.mL-1	PMID[27690420]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	<	0.25	ug.mL-1	PMID[27690420]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	2.0	ug.mL-1	PMID[27690420]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	64.0	ug.mL-1	PMID[27690420]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	88.2	%	PMID[27690420]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	74.2	%	PMID[27690420]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC100	=	0.5	ug ml-1	PMID[27665179]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC100	=	12.5	ug ml-1	PMID[27665179]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC100	=	1.0	ug ml-1	PMID[27665179]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	0.5	ug.mL-1	PMID[27399938]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC	=	1.0	ug.mL-1	PMID[27399938]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	MIC90	=	2.0	ug.mL-1	PMID[27793449]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	PMID[28063354]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	50.0	ug.mL-1	PMID[28159413]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	6.25	ug.mL-1	PMID[28159413]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.78	ug.mL-1	PMID[28159413]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	6.25	ug.mL-1	PMID[28159413]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	50.0	ug.mL-1	PMID[28159413]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.78	ug.mL-1	PMID[28159413]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[28188067]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	2.0	ug.mL-1	PMID[28188067]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.13	ug.mL-1	PMID[28189422]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	10.0	ug.mL-1	PMID[28189422]
NPT2710	Organism	Streptococcus agalactiae	Streptococcus agalactiae	MIC	=	4.0	ug.mL-1	PMID[28189422]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[28189422]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	PMID[28189422]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	PMID[27231731]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	1000.0	nM	PMID[27907875]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	500.0	nM	PMID[27907875]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	>	8000.0	nM	PMID[27907875]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	250.0	nM	PMID[27907875]
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	2000.0	nM	PMID[27907875]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	260.0	nM	PMID[27907875]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	260.0	nM	PMID[27907875]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1000.0	nM	PMID[27907875]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	256.0	ug.mL-1	PMID[28230992]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	32.0	ug.mL-1	PMID[28230992]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	8.0	ug.mL-1	PMID[28230992]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	16.0	ug.mL-1	PMID[28230992]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	2.0	ug.mL-1	PMID[28230992]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.0	ug.mL-1	PMID[28230992]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[28230992]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	4.0	ug.mL-1	PMID[28230992]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	260.0	nM	PMID[28279848]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	260.0	nM	PMID[28279848]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1000.0	nM	PMID[28279848]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[28409644]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.78	ug.mL-1	PMID[28487071]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.78	ug.mL-1	PMID[28487071]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.39	ug.mL-1	PMID[28487071]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.78	ug.mL-1	PMID[28487071]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	10.0	ug.mL-1	PMID[28797773]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.13	ug.mL-1	PMID[28797773]
NPT2710	Organism	Streptococcus agalactiae	Streptococcus agalactiae	MIC	=	4.0	ug.mL-1	PMID[28797773]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[28797773]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	PMID[28797773]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	3.0	ug.mL-1	PMID[28383902]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	21.0	mm	PMID[29866481]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	21.0	mm	PMID[29866481]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	IZ	=	35.0	mm	PMID[29866481]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	PMID[29866481]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	0.5	ug.mL-1	PMID[29866481]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	0.5	ug.mL-1	PMID[29866481]
NPT1398	Organism	Salmonella paratyphi	Salmonella enterica subsp. enterica serovar Paratyphi A	IZ	=	21.0	mm	PMID[29866481]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	20.0	mm	PMID[29866481]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	<	6.0	mm	PMID[29866481]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	=	22.0	mm	PMID[29866481]
NPT3152	Organism	Shigella dysenteriae	Shigella dysenteriae	IZ	=	18.0	mm	PMID[29866481]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	IZ	=	23.0	mm	PMID[29866481]
NPT1398	Organism	Salmonella paratyphi	Salmonella enterica subsp. enterica serovar Paratyphi A	MIC	=	0.5	ug.mL-1	PMID[29866481]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[29866481]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.25	ug.mL-1	PMID[29866481]
NPT3152	Organism	Shigella dysenteriae	Shigella dysenteriae	MIC	=	0.5	ug.mL-1	PMID[29866481]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	=	0.5	ug.mL-1	PMID[29866481]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[28837335]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	4.0	ug.mL-1	PMID[28840714]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	4.0	ug.mL-1	PMID[28840714]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	10500.0	nM	PMID[28841315]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	17200.0	nM	PMID[28841315]
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	MIC	>	256.0	ug.mL-1	PMID[29083894]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	>	256.0	ug.mL-1	PMID[29083894]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.25	ug.mL-1	PMID[29227933]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[30086230]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.25	ug.mL-1	PMID[30086230]
NPT19	Organism	Escherichia coli	Escherichia coli	IC50	=	310.0	nM	PMID[30086230]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	1.0	ug.mL-1	PMID[30086230]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	32.0	ug.mL-1	PMID[30086230]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	16.0	ug.mL-1	PMID[30086230]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	2.0	ug.mL-1	PMID[30086230]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	>	64.0	ug.mL-1	PMID[30086230]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[30086230]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	64.0	ug.mL-1	PMID[30086230]
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MIC	>	64.0	ug.mL-1	PMID[30086230]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	800.0	nM	PMID[29787914]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	1600.0	nM	PMID[29787914]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1000.0	nM	PMID[29787914]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	125.0	nM	PMID[29787914]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC	=	3.2	uM	PMID[29787914]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MBC	=	3.2	uM	PMID[29787914]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	200000.0	nM	PMID[29787914]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC95	=	2.0	uM	PMID[29648811]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC95	=	8.0	uM	PMID[29648811]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC95	=	1.0	uM	PMID[29648811]
NPT2	Others	Unspecified		MIC95	=	1.0	uM	PMID[29648811]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC95	=	0.5	uM	PMID[29648811]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC95	=	1.0	uM	PMID[29648811]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC95	=	0.5	uM	PMID[29648811]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC99.9	=	2.0	uM	PMID[29648811]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC99.9	=	1.0	uM	PMID[29648811]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MBC99.9	=	4.0	uM	PMID[29648811]
NPT2	Others	Unspecified		MBC99.9	=	2.0	uM	PMID[29648811]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC99.9	=	1.0	uM	PMID[29648811]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC99.9	=	8.0	uM	PMID[29648811]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MBC99.9	=	1.0	uM	PMID[29648811]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2000.0	nM	PMID[29648811]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1000.0	nM	PMID[29648811]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	310.0	nM	PMID[28926764]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	17.0	mm	PMID[29602681]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	16.0	mm	PMID[29602681]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	11.0	mm	PMID[29602681]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	13.0	mm	PMID[29602681]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.0422	ug.mL-1	PMID[29602681]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	0.0386	ug.mL-1	PMID[29602681]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.0212	ug.mL-1	PMID[29602681]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.0242	ug.mL-1	PMID[29602681]
NPT1521	Organism	Stenotrophomonas maltophilia	Stenotrophomonas maltophilia	MIC	=	64.0	ug.mL-1	PMID[28218529]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	0.125	ug.mL-1	PMID[28218529]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	PMID[28218529]
NPT1122	Organism	Haemophilus influenzae	Haemophilus influenzae	MIC	=	128.0	ug.mL-1	PMID[28218529]
NPT1121	Organism	Moraxella catarrhalis	Moraxella catarrhalis	MIC	=	0.25	ug.mL-1	PMID[28218529]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.25	ug.mL-1	PMID[28218529]
NPT602	Organism	Mycobacterium smegmatis	Mycobacterium smegmatis	MIC	=	16.0	ug.mL-1	PMID[28218529]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	21.0	mm	PMID[30108882]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	17.0	mm	PMID[30108882]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	32.0	mm	PMID[30108882]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	29.0	mm	PMID[30108882]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	21.0	mm	PMID[30108882]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	24.0	mm	PMID[30108882]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	28.0	mm	PMID[30108882]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	33.0	mm	PMID[30108882]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	18.0	mm	PMID[30108882]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	24.0	mm	PMID[30108882]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	29.0	mm	PMID[30108882]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	33.0	mm	PMID[30108882]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	=	19.0	mm	PMID[30108882]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	=	24.0	mm	PMID[30108882]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	=	29.0	mm	PMID[30108882]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	=	34.0	mm	PMID[30108882]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	26.0	ug.mL-1	PMID[30108882]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	28.0	ug.mL-1	PMID[30108882]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	26.0	ug.mL-1	PMID[30108882]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	26.0	ug.mL-1	PMID[30108882]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	PMID[30282323]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.25	ug.mL-1	PMID[30282323]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.0	ug.mL-1	PMID[30282323]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[30282323]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	128.0	ug.mL-1	PMID[30282323]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	4.0	ug.mL-1	PMID[30282323]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	<	0.25	ug.mL-1	PMID[30282323]
NPT2898	Organism	Acinetobacter lwoffii	Acinetobacter lwoffii	MIC	<	0.25	ug.mL-1	PMID[30282323]
NPT2898	Organism	Acinetobacter lwoffii	Acinetobacter lwoffii	MIC	=	2.0	ug.mL-1	PMID[30282323]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[30282323]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[30282323]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	64.0	ug.mL-1	PMID[30282323]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	4.0	ug.mL-1	PMID[30282323]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.96	ug.mL-1	PMID[31521458]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.96	ug.mL-1	PMID[31521458]
NPT331	Organism	Ralstonia solanacearum	Ralstonia solanacearum	MIC	=	62.5	ug.mL-1	PMID[31521458]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1000.0	nM	PMID[31276398]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	2000.0	nM	PMID[31276398]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	250.0	nM	PMID[31276398]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	500.0	nM	PMID[31276398]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1000.0	nM	PMID[31276398]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	>	128000.0	nM	PMID[31276398]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	500.0	nM	PMID[31276398]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	8000.0	nM	PMID[31276398]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	4000.0	nM	PMID[31276398]
NPT2	Others	Unspecified		Ratio	=	1.0	n.a.	PMID[31276398]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Ratio	=	32.0	n.a.	PMID[30742437]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2000.0	nM	PMID[31017784]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[31369262]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	16.0	ug.mL-1	PMID[31369262]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	4.0	ug.mL-1	PMID[31369262]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	0.5	ug.mL-1	PMID[31369262]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	64.0	ug.mL-1	PMID[31369262]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	>	64.0	ug.mL-1	PMID[31369262]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[31369262]
NPT2	Others	Unspecified		MIC	=	1.0	ug.mL-1	PMID[31369262]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	8.0	ug.mL-1	PMID[31369262]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	16.0	ug.mL-1	PMID[31369262]
NPT1190	Organism	Salmonella enterica	Salmonella enterica	MIC	=	1.0	ug.mL-1	PMID[31369262]
NPT3608	Organism	Salmonella enteritidis	Salmonella enterica subsp. enterica serovar Enteritidis	MIC	=	1.0	ug.mL-1	PMID[31369262]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	1.0	ug.mL-1	PMID[31369262]
NPT2909	Organism	Shigella flexneri	Shigella flexneri	MIC	=	1.0	ug.mL-1	PMID[31369262]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	PMID[31369262]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	2.0	ug.mL-1	PMID[31369262]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	8000.0	nM	PMID[31584822]
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	MIC	<=	1000.0	nM	PMID[31584822]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	0.5	ug.mL-1	PMID[31403786]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	PMID[31403786]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.25	ug.mL-1	PMID[31403786]
NPT2909	Organism	Shigella flexneri	Shigella flexneri	MIC	=	0.5	ug.mL-1	PMID[31403786]
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	MIC	=	16.0	ug.mL-1	PMID[31185412]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	PMID[31185412]
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	32.0	ug.mL-1	PMID[31185412]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	32.0	ug.mL-1	PMID[31185412]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	2.0	ug.mL-1	PMID[31185412]
NPT2	Others	Unspecified		MIC	=	0.5	ug.mL-1	PMID[31185412]
NPT23872	ORGANISM	Enterococcus casseliflavus	Enterococcus casseliflavus	MIC	=	4.0	ug.mL-1	PMID[31185412]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	0.125	ug.mL-1	PMID[31185412]
NPT2	Others	Unspecified		MIC	=	0.0625	ug.mL-1	PMID[31185412]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	8.0	ug.mL-1	PMID[31185412]
NPT2710	Organism	Streptococcus agalactiae	Streptococcus agalactiae	MIC	=	32.0	ug.mL-1	PMID[31185412]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	256.0	ug.mL-1	PMID[31185412]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	16.0	ug.mL-1	PMID[31185412]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.25	ug.mL-1	PMID[31185412]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	IZ	=	14.0	mm	PMID[31540826]
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	IZ	=	17.0	mm	PMID[31540826]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	PMID[30615447]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	128.0	ug.mL-1	PMID[30615447]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	64.0	ug.mL-1	PMID[30615447]
NPT1477	Organism	Staphylococcus haemolyticus	Staphylococcus haemolyticus	MIC	>	128.0	ug.mL-1	PMID[30615447]
NPT4839	Organism	Staphylococcus intermedius	Staphylococcus intermedius	MIC	<=	0.125	ug.mL-1	PMID[30615447]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	16.0	ug.mL-1	PMID[30615447]
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	64.0	ug.mL-1	PMID[30615447]
NPT1118	Organism	Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	=	8.0	ug.mL-1	PMID[30615447]
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	MIC	=	32.0	ug.mL-1	PMID[30615447]
NPT1531	Organism	Enterococcus faecium	Enterococcus faecium	MIC	=	16.0	ug.mL-1	PMID[30615447]
NPT167	Organism	Propionibacterium acnes	Propionibacterium acnes	MIC	=	2.0	ug.mL-1	PMID[30615447]
NPT2940	Organism	Clostridium difficile	Clostridium difficile	MIC	=	128.0	ug.mL-1	PMID[30615447]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	=	1.625	ug.mL-1	PMID[30448416]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.625	ug.mL-1	PMID[30448416]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.6	ug.mL-1	PMID[30448416]
NPT22	Organism	Bacillus subtilis subsp. spizizenii	Bacillus subtilis subsp. spizizenii	MIC	=	1.625	ug.mL-1	PMID[30448416]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.625	ug.mL-1	PMID[30448416]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	1000.0	nM	PMID[31318550]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1000.0	nM	PMID[31318550]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	500.0	nM	PMID[31318550]
NPT2909	Organism	Shigella flexneri	Shigella flexneri	MIC	=	1000.0	nM	PMID[31318550]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	2.0	ug.mL-1	PMID[30807888]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[30807888]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	>	64.0	ug.mL-1	PMID[30807888]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	2.0	ug.mL-1	PMID[30807888]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	Ratio	=	16.0	n.a.	PMID[32175733]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	0.03	ug.mL-1	PMID[31330449]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	<=	0.5	ug.mL-1	PMID[31446245]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[31446245]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	=	4.0	ug.mL-1	PMID[31446245]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	2.0	ug.mL-1	PMID[31446245]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MBC	=	32.0	ug ml-1	PMID[31446245]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC	<=	0.5	ug ml-1	PMID[31446245]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC	=	1.0	ug ml-1	PMID[31446245]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MBC	=	4.0	ug ml-1	PMID[31446245]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC	=	4.0	ug ml-1	PMID[31446245]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC	=	2.0	ug ml-1	PMID[31446245]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	=	32.0	ug.mL-1	PMID[31446245]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	PMID[31584271]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.25	ug.mL-1	PMID[31584271]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[31599583]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	4.0	ug.mL-1	PMID[31794218]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.0	ug.mL-1	PMID[26905687]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	1.0	ug.mL-1	PMID[26905687]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[26905687]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.0	ug.mL-1	PMID[26905687]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	<	1.0	ug.mL-1	PMID[27187871]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	<	20.0	nM	PMID[27426865]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	76.0	nM	PMID[27426865]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	30.0	nM	PMID[27436809]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	50.0	nM	PMID[27436809]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	40.0	nM	PMID[27436809]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	100.0	nM	PMID[27436809]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	80.0	nM	PMID[27436809]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	70.0	nM	PMID[27436809]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	90.0	nM	PMID[27436809]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	>	40.0	ug.mL-1	PMID[27614413]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	40.0	ug.mL-1	PMID[27614413]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	19.0	mm	PMID[30654239]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	19.0	mm	PMID[30654239]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	19.0	mm	PMID[30654239]
NPT314	Organism	Bacillus cereus	Bacillus cereus	IZ	=	19.0	mm	PMID[30654239]
NPT5485	Organism	Mycobacterium leprae	Mycobacterium leprae	Activity	=	58.5	%	PMID[31103404]
NPT5485	Organism	Mycobacterium leprae	Mycobacterium leprae	Activity	=	60.0	%	PMID[31103404]
NPT27	Others	Unspecified		Inhibition	=	33.0	%	PMID[32360102]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	9.2	ug.mL-1	PMID[32786884]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	520.0	nM	PMID[32960605]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	64.0	ug.mL-1	PMID[32987133]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	8.0	ug.mL-1	PMID[32987133]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.5	ug.mL-1	PMID[32987133]
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	=	0.25	ug.mL-1	PMID[32987133]
NPT314	Organism	Bacillus cereus	Bacillus cereus	MIC	=	0.25	ug.mL-1	PMID[32987133]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	0.25	ug.mL-1	PMID[32987133]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.5	ug.mL-1	PMID[31735572]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	<=	0.5	ug.mL-1	PMID[31962263]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	128.0	ug.mL-1	PMID[31991335]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	4.0	ug.mL-1	PMID[31991335]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.12	ug.mL-1	PMID[31991335]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.25	ug.mL-1	PMID[31991335]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	0.5	ug.mL-1	PMID[31991335]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	17.3	mm	PMID[30826511]
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	19.9	mm	PMID[30826511]
NPT22	Organism	Bacillus subtilis subsp. spizizenii	Bacillus subtilis subsp. spizizenii	MIC	=	1.56	ug.mL-1	PMID[30826511]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	1.56	ug.mL-1	PMID[30826511]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.56	ug.mL-1	PMID[30826511]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	=	1.56	ug.mL-1	PMID[30826511]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	8.0	ug.mL-1	PMID[33021377]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC	=	100.0	ug ml-1	PMID[27720324]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	50.0	ug.mL-1	PMID[27720324]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MBC	=	100.0	ug ml-1	PMID[27720324]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	=	50.0	ug.mL-1	PMID[27720324]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MBC	>	400.0	ug ml-1	PMID[27720324]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	400.0	ug.mL-1	PMID[27720324]
NPT19	Organism	Escherichia coli	Escherichia coli	MBC	=	100.0	ug ml-1	PMID[27720324]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	50.0	ug.mL-1	PMID[27720324]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MBC	=	1.6	ug ml-1	PMID[27720324]
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	0.8	ug.mL-1	PMID[27720324]
NPT2897	Organism	Citrobacter freundii	Citrobacter freundii	MBC	=	0.8	ug ml-1	PMID[27720324]
NPT2897	Organism	Citrobacter freundii	Citrobacter freundii	MIC	=	0.4	ug.mL-1	PMID[27720324]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MBC	=	1.6	ug ml-1	PMID[27720324]
NPT766	Organism	Proteus vulgaris	Proteus vulgaris	MIC	=	0.8	ug.mL-1	PMID[27720324]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC	>	100.0	ug ml-1	PMID[27720324]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	100.0	ug.mL-1	PMID[27720324]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MBC	=	1.0	ug ml-1	PMID[27720324]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	1.0	ug.mL-1	PMID[27720324]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	10.0	ug.mL-1	PMID[27720324]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	0.25	ug.mL-1	PMID[33513385]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	0.05	ug.mL-1	PMID[33513385]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	=	1.0	ug.mL-1	PMID[33513385]
NPT1228	Organism	Streptococcus pyogenes	Streptococcus pyogenes	MIC	=	0.5	ug.mL-1	PMID[33513385]

☑ 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 NPC478575 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	195
0.1-0.2	7119
0.2-0.3	21821
0.3-0.4	10411
0.4-0.5	2776
0.5-0.6	285
0.6-0.7	49
0.7-0.8	16
0.8-0.85	11
0.85-0.9	9
0.9-0.95	0
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID

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 NPC478575 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	98
0.1-0.2	2529
0.2-0.3	4782
0.3-0.4	1386
0.4-0.5	214
0.5-0.6	76
0.6-0.7	25
0.7-0.8	13
0.8-0.85	17
0.85-0.9	6
0.9-0.95	1
0.95-1	3

Similarity Score	Similarity Level	Drug ID	Developmental Stage

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