NPASS Natural Product

Natural Product: NPC245346

Natural Product ID:	NPC245346
Common Name:	Proline
IUPAC Name:	pyrrolidin-1-ium-2-carboxylate
Synonyms:	Proline
Molecular Formula:	C5H9NO2
Standard InCHIKey:	ONIBWKKTOPOVIA-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
Canonical SMILES:	OC(=O)C1CCCN1
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO21027	Daphnia magna	Species	Daphniidae	Eukaryota	PMID[20117838]
NPO6232	Streptomyces griseus	Species	Streptomycetaceae	Bacteria	StreptomeDB*
NPO7103	Allium sativum	Species	Amaryllidaceae	Eukaryota	TM-MC*
NPO2921	Angelica acutiloba	Species	Apiaceae	Eukaryota	TM-MC*
NPO11438	Angelica gigas	Species	Apiaceae	Eukaryota	TM-MC*
NPO15462	Angelica sinensis	Species	Apiaceae	Eukaryota	TM-MC*
NPO29007	Brassica juncea	Species	Brassicaceae	Eukaryota	TM-MC*
NPO14964	Calvatia gigantea	Species	Lycoperdaceae	Eukaryota	TM-MC*
NPO17030	Calvatia lilacina	Species	Lycoperdaceae	Eukaryota	TM-MC*
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	TM-MC*
NPO4554	Isatis tinctoria	Species	Brassicaceae	Eukaryota	TM-MC*
NPO21845	Calvatia fenzlii	Species	Lycoperdaceae	Eukaryota	TM-MC*
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	TM-MC*
NPO784	Sinapis alba	Species	Brassicaceae	Eukaryota	TM-MC*
NPO1596	Taraxacum borealisinense	Species	Asteraceae	Eukaryota	TM-MC*
NPO23327	Taraxacum coreanum	Species	Asteraceae	Eukaryota	TM-MC*
NPO26785	Taraxacum mongolicum	Species	Asteraceae	Eukaryota	TM-MC*
NPO26622	Taraxacum officinale	Species	Asteraceae	Eukaryota	TM-MC*
NPO13668	Taraxacum platycarpum	Species	Asteraceae	Eukaryota	TM-MC*
NPO523	Tussilago farfara	Species	Asteraceae	Eukaryota	TM-MC*

Biological Activity

Activity Type	# Activity
GI50	58
IC50	1
Others	1
Potency	5

Activity Type	# Activity
Cell Line	58
Individual Protein	4
Others	2
Protein-Protein Interaction	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT3581	Individual Protein	Dihydrodipicolinate synthase	Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)	Inhibition	=	0	%	10.1016/0960-894X(94)85023-2
NPT1163	Individual Protein	Glutamate (NMDA) receptor subunit zeta 1	Rattus norvegicus	IC50	=	17200	nM	1310117
NPT53	Individual Protein	4'-phosphopantetheinyl transferase ffp	Bacillus subtilis	Potency	=	56234.1	nM	PubChem BioAssay data set
NPT533	Protein-Protein Interaction	Runt-related transcription factor 1/Core-binding factor subunit beta	Homo sapiens	Potency		14125.4	nM	PubChem BioAssay data set
NPT199	Individual Protein	DNA polymerase kappa	Homo sapiens	Potency		42284.1	nM	PubChem BioAssay data set
NPT368	Cell Line	SN12C	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT367	Cell Line	MDA-N	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT371	Cell Line	UO-31	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT369	Cell Line	ACHN	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT116	Cell Line	HL-60	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT372	Cell Line	HOP-92	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT374	Cell Line	SF-539	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT90	Cell Line	DU-145	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT376	Cell Line	A498	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT111	Cell Line	K562	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT379	Cell Line	HOP-62	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT380	Cell Line	U-251	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT383	Cell Line	SNB-19	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT385	Cell Line	SR	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT384	Cell Line	TK-10	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT323	Cell Line	SW-620	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT386	Cell Line	KM12	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT387	Cell Line	M14	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT457	Cell Line	BT-549	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT392	Cell Line	SNB-75	Homo sapiens	GI50		57411.65	nM	PubChem BioAssay data set
NPT148	Cell Line	HCT-15	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT393	Cell Line	HCT-116	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT83	Cell Line	MCF7	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT394	Cell Line	EKVX	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT306	Cell Line	PC-3	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT396	Cell Line	T47D	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT398	Cell Line	UACC-62	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT399	Cell Line	SF-295	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT403	Cell Line	UACC-257	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT401	Cell Line	786-0	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT139	Cell Line	HT-29	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT407	Cell Line	COLO 205	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT406	Cell Line	RXF 393	Homo sapiens	GI50		100000	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		134.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		6007	nM	PubChem BioAssay data set

Similar Natural Products 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 NPC245346 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	175
0.1-0.2	18003
0.2-0.3	10569
0.3-0.4	1459
0.4-0.5	391
0.5-0.6	176
0.6-0.7	78
0.7-0.8	23
0.8-0.85	9
0.85-0.9	4
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC302003
1.0	High Similarity	NPC11433
0.8689	High Similarity	NPC135539
0.8689	High Similarity	NPC196359
0.8689	High Similarity	NPC78312
0.8689	High Similarity	NPC221764
0.8413	Intermediate Similarity	NPC15864
0.8226	Intermediate Similarity	NPC287693
0.8136	Intermediate Similarity	NPC64250
0.8136	Intermediate Similarity	NPC268927
0.8136	Intermediate Similarity	NPC276928
0.8125	Intermediate Similarity	NPC322274
0.8036	Intermediate Similarity	NPC274499
0.8036	Intermediate Similarity	NPC333075
0.8036	Intermediate Similarity	NPC8488
0.7963	Intermediate Similarity	NPC93081
0.7963	Intermediate Similarity	NPC140872
0.791	Intermediate Similarity	NPC320221
0.7581	Intermediate Similarity	NPC118429
0.7536	Intermediate Similarity	NPC327272
0.75	Intermediate Similarity	NPC160661
0.7407	Intermediate Similarity	NPC327698
0.7407	Intermediate Similarity	NPC118459
0.7358	Intermediate Similarity	NPC276294
0.7344	Intermediate Similarity	NPC226453
0.7344	Intermediate Similarity	NPC103130
0.7288	Intermediate Similarity	NPC183845
0.7288	Intermediate Similarity	NPC279661
0.7241	Intermediate Similarity	NPC200550
0.7241	Intermediate Similarity	NPC155156
0.7222	Intermediate Similarity	NPC198301
0.7213	Intermediate Similarity	NPC278209
0.7193	Intermediate Similarity	NPC112890
0.7193	Intermediate Similarity	NPC316231
0.7193	Intermediate Similarity	NPC324825
0.7164	Intermediate Similarity	NPC107224
0.7121	Intermediate Similarity	NPC327985
0.7	Intermediate Similarity	NPC272396
0.6897	Remote Similarity	NPC62045
0.6897	Remote Similarity	NPC43204
0.6897	Remote Similarity	NPC84636
0.6897	Remote Similarity	NPC226027
0.6897	Remote Similarity	NPC162620
0.6897	Remote Similarity	NPC174246
0.6897	Remote Similarity	NPC245027
0.6875	Remote Similarity	NPC177191
0.6866	Remote Similarity	NPC325534
0.6842	Remote Similarity	NPC101249
0.6812	Remote Similarity	NPC133183
0.678	Remote Similarity	NPC137958
0.678	Remote Similarity	NPC273330
0.6761	Remote Similarity	NPC185084
0.6716	Remote Similarity	NPC278881
0.6709	Remote Similarity	NPC69374
0.6709	Remote Similarity	NPC90476
0.6667	Remote Similarity	NPC10262
0.6667	Remote Similarity	NPC311668
0.6667	Remote Similarity	NPC121517
0.6667	Remote Similarity	NPC168375
0.6667	Remote Similarity	NPC65832
0.6667	Remote Similarity	NPC326992
0.662	Remote Similarity	NPC328457
0.6607	Remote Similarity	NPC323974
0.6562	Remote Similarity	NPC176164
0.6562	Remote Similarity	NPC189301
0.6557	Remote Similarity	NPC197087
0.6557	Remote Similarity	NPC190184
0.6508	Remote Similarity	NPC38463
0.6508	Remote Similarity	NPC325985
0.6491	Remote Similarity	NPC329263
0.6462	Remote Similarity	NPC254541
0.6462	Remote Similarity	NPC320598
0.6429	Remote Similarity	NPC291186
0.6429	Remote Similarity	NPC167986
0.6349	Remote Similarity	NPC2801
0.6316	Remote Similarity	NPC126925
0.6316	Remote Similarity	NPC325097
0.6316	Remote Similarity	NPC132307
0.6269	Remote Similarity	NPC474014
0.6269	Remote Similarity	NPC30126
0.6269	Remote Similarity	NPC314510
0.6269	Remote Similarity	NPC62507
0.6269	Remote Similarity	NPC8087
0.6269	Remote Similarity	NPC57846
0.6269	Remote Similarity	NPC322206
0.6232	Remote Similarity	NPC472609
0.6212	Remote Similarity	NPC317143
0.6212	Remote Similarity	NPC321536
0.6212	Remote Similarity	NPC316826
0.6212	Remote Similarity	NPC321468
0.6212	Remote Similarity	NPC327748
0.6197	Remote Similarity	NPC81647
0.6154	Remote Similarity	NPC318260
0.6154	Remote Similarity	NPC317147
0.6154	Remote Similarity	NPC283786
0.6129	Remote Similarity	NPC155512
0.6119	Remote Similarity	NPC327170
0.6119	Remote Similarity	NPC329564
0.6119	Remote Similarity	NPC143722
0.6119	Remote Similarity	NPC68974
0.6111	Remote Similarity	NPC216443
0.6102	Remote Similarity	NPC49952
0.6102	Remote Similarity	NPC136476
0.6094	Remote Similarity	NPC322573
0.6087	Remote Similarity	NPC57420
0.6087	Remote Similarity	NPC315744
0.6076	Remote Similarity	NPC219340
0.6071	Remote Similarity	NPC53449
0.6071	Remote Similarity	NPC66043
0.6061	Remote Similarity	NPC190385
0.6056	Remote Similarity	NPC222327
0.6056	Remote Similarity	NPC188231
0.6023	Remote Similarity	NPC40663
0.6	Remote Similarity	NPC474928
0.6	Remote Similarity	NPC18188
0.6	Remote Similarity	NPC136159
0.5974	Remote Similarity	NPC59867
0.5968	Remote Similarity	NPC50457
0.5932	Remote Similarity	NPC208793
0.5932	Remote Similarity	NPC285322
0.5926	Remote Similarity	NPC272614
0.5926	Remote Similarity	NPC21290
0.5926	Remote Similarity	NPC116709
0.5915	Remote Similarity	NPC101746
0.5915	Remote Similarity	NPC473952
0.5915	Remote Similarity	NPC77191
0.5915	Remote Similarity	NPC69798
0.5915	Remote Similarity	NPC116377
0.5904	Remote Similarity	NPC469363
0.5902	Remote Similarity	NPC153370
0.5873	Remote Similarity	NPC19576
0.5873	Remote Similarity	NPC322946
0.5873	Remote Similarity	NPC29950
0.5873	Remote Similarity	NPC202525
0.5857	Remote Similarity	NPC289691
0.5846	Remote Similarity	NPC10915
0.5833	Remote Similarity	NPC297220
0.5833	Remote Similarity	NPC309658
0.5818	Remote Similarity	NPC63621
0.5806	Remote Similarity	NPC152451
0.5806	Remote Similarity	NPC328378
0.5806	Remote Similarity	NPC170739
0.5806	Remote Similarity	NPC93888
0.5806	Remote Similarity	NPC270805
0.5806	Remote Similarity	NPC193989
0.5789	Remote Similarity	NPC326212
0.5789	Remote Similarity	NPC237525
0.5781	Remote Similarity	NPC263065
0.5781	Remote Similarity	NPC245768
0.5781	Remote Similarity	NPC189178
0.5775	Remote Similarity	NPC325597
0.5775	Remote Similarity	NPC174304
0.5741	Remote Similarity	NPC134570
0.5733	Remote Similarity	NPC306973
0.5714	Remote Similarity	NPC243964
0.5714	Remote Similarity	NPC125736
0.5714	Remote Similarity	NPC315977
0.5694	Remote Similarity	NPC128005
0.5694	Remote Similarity	NPC84182
0.5692	Remote Similarity	NPC321118
0.5692	Remote Similarity	NPC316889
0.5679	Remote Similarity	NPC475542
0.5667	Remote Similarity	NPC117829
0.5658	Remote Similarity	NPC29326
0.5658	Remote Similarity	NPC315897
0.5634	Remote Similarity	NPC106216
0.5634	Remote Similarity	NPC88898
0.5616	Remote Similarity	NPC60424
0.5616	Remote Similarity	NPC314221
0.5616	Remote Similarity	NPC118524
0.5606	Remote Similarity	NPC327831
0.5606	Remote Similarity	NPC275727
0.56	Remote Similarity	NPC475694
0.56	Remote Similarity	NPC473710

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC245346 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	61
0.1-0.2	3849
0.2-0.3	3890
0.3-0.4	943
0.4-0.5	242
0.5-0.6	130
0.6-0.7	31
0.7-0.8	13
0.8-0.85	0
0.85-0.9	1
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD8865	Approved
0.8689	High Similarity	NPD8868	Approved
0.7963	Intermediate Similarity	NPD8808	Approved
0.7963	Intermediate Similarity	NPD8809	Approved
0.7581	Intermediate Similarity	NPD9014	Approved
0.7361	Intermediate Similarity	NPD617	Approved
0.7344	Intermediate Similarity	NPD9047	Approved
0.7344	Intermediate Similarity	NPD9048	Approved
0.7344	Intermediate Similarity	NPD9046	Phase 3
0.7344	Intermediate Similarity	NPD9045	Approved
0.7193	Intermediate Similarity	NPD9016	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD9044	Approved
0.7015	Intermediate Similarity	NPD9232	Phase 2
0.7015	Intermediate Similarity	NPD9233	Phase 3
0.7015	Intermediate Similarity	NPD9231	Phase 3
0.6957	Remote Similarity	NPD2220	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD9649	Approved
0.6897	Remote Similarity	NPD9018	Approved
0.6897	Remote Similarity	NPD9017	Approved
0.6866	Remote Similarity	NPD8952	Approved
0.6842	Remote Similarity	NPD8866	Approved
0.6842	Remote Similarity	NPD8867	Approved
0.678	Remote Similarity	NPD8871	Approved
0.678	Remote Similarity	NPD8872	Phase 3
0.6774	Remote Similarity	NPD8979	Approved
0.6774	Remote Similarity	NPD8981	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD8980	Approved
0.6667	Remote Similarity	NPD9451	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9217	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD9019	Approved
0.6562	Remote Similarity	NPD8848	Approved
0.6557	Remote Similarity	NPD8851	Phase 1
0.6557	Remote Similarity	NPD8785	Approved
0.6438	Remote Similarity	NPD366	Approved
0.6429	Remote Similarity	NPD8805	Approved
0.6429	Remote Similarity	NPD8804	Approved
0.6316	Remote Similarity	NPD8798	Approved
0.631	Remote Similarity	NPD2682	Approved
0.6308	Remote Similarity	NPD9433	Approved
0.6203	Remote Similarity	NPD1125	Discovery
0.6118	Remote Similarity	NPD4261	Phase 1
0.6061	Remote Similarity	NPD9023	Clinical (unspecified phase)
0.6	Remote Similarity	NPD8623	Phase 1
0.6	Remote Similarity	NPD8973	Approved
0.6	Remote Similarity	NPD8972	Approved
0.6	Remote Similarity	NPD8850	Approved
0.5932	Remote Similarity	NPD8610	Approved
0.5926	Remote Similarity	NPD8211	Approved
0.5926	Remote Similarity	NPD8210	Phase 3
0.5909	Remote Similarity	NPD9425	Approved
0.5904	Remote Similarity	NPD7759	Phase 2
0.5904	Remote Similarity	NPD7760	Phase 2
0.5902	Remote Similarity	NPD8614	Approved
0.5889	Remote Similarity	NPD3715	Approved
0.5889	Remote Similarity	NPD3713	Approved
0.5889	Remote Similarity	NPD3714	Approved
0.5873	Remote Similarity	NPD8846	Approved
0.5873	Remote Similarity	NPD61	Approved
0.5873	Remote Similarity	NPD9441	Phase 2
0.5873	Remote Similarity	NPD8847	Approved
0.5846	Remote Similarity	NPD8971	Approved
0.5833	Remote Similarity	NPD8801	Approved
0.5806	Remote Similarity	NPD8624	Approved
0.5806	Remote Similarity	NPD8803	Clinical (unspecified phase)
0.5806	Remote Similarity	NPD8946	Approved
0.5806	Remote Similarity	NPD9021	Approved
0.5806	Remote Similarity	NPD8947	Approved
0.5806	Remote Similarity	NPD8802	Approved
0.5781	Remote Similarity	NPD9204	Approved
0.5781	Remote Similarity	NPD9205	Approved
0.5775	Remote Similarity	NPD348	Approved
0.5765	Remote Similarity	NPD3177	Phase 3
0.5758	Remote Similarity	NPD8864	Clinical (unspecified phase)
0.5694	Remote Similarity	NPD9442	Clinical (unspecified phase)
0.5676	Remote Similarity	NPD620	Approved
0.5663	Remote Similarity	NPD9577	Approved
0.5658	Remote Similarity	NPD1825	Clinical (unspecified phase)
0.5641	Remote Similarity	NPD9224	Clinical (unspecified phase)
0.5616	Remote Similarity	NPD9421	Phase 1
0.5616	Remote Similarity	NPD886	Clinical (unspecified phase)
0.5616	Remote Similarity	NPD1429	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID	25246272;614
ChEMBL	CHEMBL72275
ZINC

Physicochemical Properties

Molecular Weight:	115.06
ALogP:	-1.3817
MLogP:	1.68
XLogP:	-0.185
# Rotatable Bonds:	2
Polar Surface Area:	49.33
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	1
# Heavy Atoms:	8

Download Data

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