NPASS Natural Product

Natural Product: NPC132308

Natural Product ID:	NPC132308
Common Name:	1-Hydroxy-3-[4-(3-Methylbut-2-Enoxy)Phenyl]-4-(2-Methylpropyl)Pyrrole-2,5-Dione
IUPAC Name:	1-hydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione
Synonyms:
Molecular Formula:	C19H23NO4
Standard InCHIKey:	OJSZXJGYUVZRNU-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H23NO4/c1-12(2)9-10-24-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20(23)19(17)22/h5-9,13,23H,10-11H2,1-4H3
Canonical SMILES:	CC(=CCOc1ccc(cc1)C1=C(CC(C)C)C(=O)N(C1=O)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO30573	Antrodia camphorata	Species	Fomitopsidaceae	Eukaryota		PMID[14738384]
NPO32621	antrodia cinnamomea	Species	Fomitopsidaceae	Eukaryota	mycelia	PMID[18522430]
NPO14403	Taiwanofungus camphoratus	Species	Coriolaceae	Eukaryota		TCMID*

Biological Activity

Activity Type	# Activity
ED50	1
IC50	1
Others	2

Activity Type	# Activity
Cell Line	2
Individual Protein	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		ED50	=	7.5	ug/ml	14738384
NPT113	Cell Line	RAW264.7	Mus musculus	Activity	=	18.3	nM	18522430
NPT113	Cell Line	RAW264.7	Mus musculus	Activity	=	86.8	%	18522430
NPT4524	Individual Protein	Genome polyprotein	Hepatitis C virus genotype 1a (isolate H) (HCV)	IC50	=	6500	nM	Patent: US9115083 B2

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 NPC132308 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	130
0.1-0.2	924
0.2-0.3	2991
0.3-0.4	8909
0.4-0.5	3828
0.5-0.6	9085
0.6-0.7	4916
0.7-0.8	101
0.8-0.85	1
0.85-0.9	2
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9688	High Similarity	NPC196708
0.9023	High Similarity	NPC106606
0.8797	High Similarity	NPC169766
0.8527	High Similarity	NPC268348
0.8217	Intermediate Similarity	NPC293424
0.7986	Intermediate Similarity	NPC266425
0.7943	Intermediate Similarity	NPC307682
0.781	Intermediate Similarity	NPC474476
0.7698	Intermediate Similarity	NPC283079
0.7681	Intermediate Similarity	NPC218323
0.7676	Intermediate Similarity	NPC473360
0.766	Intermediate Similarity	NPC470392
0.7643	Intermediate Similarity	NPC120251
0.75	Intermediate Similarity	NPC252004
0.7402	Intermediate Similarity	NPC38209
0.74	Intermediate Similarity	NPC189908
0.7364	Intermediate Similarity	NPC151530
0.7364	Intermediate Similarity	NPC157473
0.7357	Intermediate Similarity	NPC470858
0.7353	Intermediate Similarity	NPC264976
0.7338	Intermediate Similarity	NPC473942
0.7328	Intermediate Similarity	NPC183648
0.7323	Intermediate Similarity	NPC298224
0.7313	Intermediate Similarity	NPC51345
0.7299	Intermediate Similarity	NPC263835
0.7292	Intermediate Similarity	NPC470977
0.7292	Intermediate Similarity	NPC470976
0.7292	Intermediate Similarity	NPC196979
0.7287	Intermediate Similarity	NPC176971
0.7287	Intermediate Similarity	NPC1065
0.7287	Intermediate Similarity	NPC326447
0.7286	Intermediate Similarity	NPC221798
0.7273	Intermediate Similarity	NPC57879
0.7273	Intermediate Similarity	NPC23332
0.7259	Intermediate Similarity	NPC19290
0.7259	Intermediate Similarity	NPC470860
0.7252	Intermediate Similarity	NPC234639
0.7252	Intermediate Similarity	NPC259554
0.723	Intermediate Similarity	NPC160747
0.7222	Intermediate Similarity	NPC183348
0.7222	Intermediate Similarity	NPC282230
0.7218	Intermediate Similarity	NPC17693
0.7214	Intermediate Similarity	NPC11799
0.7214	Intermediate Similarity	NPC141252
0.7209	Intermediate Similarity	NPC128730
0.7209	Intermediate Similarity	NPC473855
0.7209	Intermediate Similarity	NPC470393
0.7206	Intermediate Similarity	NPC469954
0.719	Intermediate Similarity	NPC324081
0.7188	Intermediate Similarity	NPC71205
0.7188	Intermediate Similarity	NPC192596
0.7183	Intermediate Similarity	NPC475236
0.7172	Intermediate Similarity	NPC15083
0.7164	Intermediate Similarity	NPC109241
0.7164	Intermediate Similarity	NPC26524
0.7163	Intermediate Similarity	NPC89630
0.7162	Intermediate Similarity	NPC28641
0.7162	Intermediate Similarity	NPC225745
0.7162	Intermediate Similarity	NPC194359
0.7153	Intermediate Similarity	NPC170546
0.7153	Intermediate Similarity	NPC66246
0.7143	Intermediate Similarity	NPC69403
0.7143	Intermediate Similarity	NPC291189
0.7132	Intermediate Similarity	NPC128249
0.7132	Intermediate Similarity	NPC283546
0.7132	Intermediate Similarity	NPC38079
0.7132	Intermediate Similarity	NPC108875
0.7124	Intermediate Similarity	NPC296085
0.7113	Intermediate Similarity	NPC473626
0.7109	Intermediate Similarity	NPC51633
0.7089	Intermediate Similarity	NPC169742
0.7087	Intermediate Similarity	NPC471576
0.7083	Intermediate Similarity	NPC2596
0.7081	Intermediate Similarity	NPC469479
0.7081	Intermediate Similarity	NPC471396
0.7059	Intermediate Similarity	NPC9373
0.7059	Intermediate Similarity	NPC296526
0.7055	Intermediate Similarity	NPC328070
0.7054	Intermediate Similarity	NPC179686
0.705	Intermediate Similarity	NPC474874
0.705	Intermediate Similarity	NPC321133
0.7047	Intermediate Similarity	NPC470707
0.7047	Intermediate Similarity	NPC471316
0.7034	Intermediate Similarity	NPC939
0.7032	Intermediate Similarity	NPC214239
0.7031	Intermediate Similarity	NPC13755
0.7029	Intermediate Similarity	NPC159916
0.7029	Intermediate Similarity	NPC152159
0.7027	Intermediate Similarity	NPC180647
0.7019	Intermediate Similarity	NPC293164
0.7019	Intermediate Similarity	NPC471394
0.7015	Intermediate Similarity	NPC166837
0.7015	Intermediate Similarity	NPC54626
0.7014	Intermediate Similarity	NPC165726
0.7014	Intermediate Similarity	NPC213969
0.7013	Intermediate Similarity	NPC71629
0.7008	Intermediate Similarity	NPC175298
0.7007	Intermediate Similarity	NPC119985
0.7007	Intermediate Similarity	NPC280476
0.7007	Intermediate Similarity	NPC316062
0.7006	Intermediate Similarity	NPC123011
0.7006	Intermediate Similarity	NPC256689
0.7	Intermediate Similarity	NPC231572
0.7	Intermediate Similarity	NPC109637
0.7	Intermediate Similarity	NPC150712
0.7	Intermediate Similarity	NPC187826
0.6994	Remote Similarity	NPC469505
0.6993	Remote Similarity	NPC2771
0.6993	Remote Similarity	NPC88403
0.6993	Remote Similarity	NPC124776
0.6986	Remote Similarity	NPC477645
0.698	Remote Similarity	NPC236974
0.698	Remote Similarity	NPC144027
0.698	Remote Similarity	NPC99078
0.6977	Remote Similarity	NPC307425
0.6972	Remote Similarity	NPC118853
0.6959	Remote Similarity	NPC203817
0.6957	Remote Similarity	NPC67080
0.6957	Remote Similarity	NPC217180
0.6957	Remote Similarity	NPC312525
0.6947	Remote Similarity	NPC42383
0.6947	Remote Similarity	NPC473393
0.694	Remote Similarity	NPC231251
0.694	Remote Similarity	NPC88868
0.694	Remote Similarity	NPC25067
0.6939	Remote Similarity	NPC125153
0.6934	Remote Similarity	NPC220540
0.6934	Remote Similarity	NPC205523
0.6933	Remote Similarity	NPC220923
0.6933	Remote Similarity	NPC471201
0.6933	Remote Similarity	NPC252107
0.6929	Remote Similarity	NPC230951
0.6929	Remote Similarity	NPC193193
0.6929	Remote Similarity	NPC168050
0.6929	Remote Similarity	NPC31314
0.6918	Remote Similarity	NPC238309
0.6918	Remote Similarity	NPC473894
0.6917	Remote Similarity	NPC291837
0.6913	Remote Similarity	NPC277042
0.6913	Remote Similarity	NPC255817
0.6913	Remote Similarity	NPC136330
0.6913	Remote Similarity	NPC196609
0.6913	Remote Similarity	NPC205178
0.6913	Remote Similarity	NPC96406
0.6913	Remote Similarity	NPC230698
0.6913	Remote Similarity	NPC73883
0.6913	Remote Similarity	NPC251454
0.6912	Remote Similarity	NPC53953
0.6909	Remote Similarity	NPC477255
0.6906	Remote Similarity	NPC206007
0.6906	Remote Similarity	NPC311091
0.6906	Remote Similarity	NPC471033
0.6899	Remote Similarity	NPC107101
0.6897	Remote Similarity	NPC103605
0.6897	Remote Similarity	NPC81092
0.6897	Remote Similarity	NPC223807
0.6897	Remote Similarity	NPC37512
0.6887	Remote Similarity	NPC156910
0.6887	Remote Similarity	NPC470398
0.6887	Remote Similarity	NPC470397
0.6879	Remote Similarity	NPC322569
0.6879	Remote Similarity	NPC158949
0.6875	Remote Similarity	NPC319320
0.6875	Remote Similarity	NPC287757
0.6875	Remote Similarity	NPC280767
0.6871	Remote Similarity	NPC469929
0.6871	Remote Similarity	NPC254700
0.687	Remote Similarity	NPC2518
0.6867	Remote Similarity	NPC137172
0.6867	Remote Similarity	NPC125269
0.6867	Remote Similarity	NPC473052
0.6867	Remote Similarity	NPC145446
0.6867	Remote Similarity	NPC204592
0.6867	Remote Similarity	NPC473055
0.6863	Remote Similarity	NPC908
0.6863	Remote Similarity	NPC138438
0.6861	Remote Similarity	NPC114144
0.6857	Remote Similarity	NPC61779
0.6857	Remote Similarity	NPC37858
0.6857	Remote Similarity	NPC54243
0.6857	Remote Similarity	NPC43435
0.6857	Remote Similarity	NPC473969
0.6857	Remote Similarity	NPC137710
0.6857	Remote Similarity	NPC98748
0.6857	Remote Similarity	NPC256369
0.6857	Remote Similarity	NPC43275
0.6853	Remote Similarity	NPC242372
0.6853	Remote Similarity	NPC164778
0.6853	Remote Similarity	NPC328267
0.6853	Remote Similarity	NPC257976
0.6853	Remote Similarity	NPC244876
0.6853	Remote Similarity	NPC4181
0.6853	Remote Similarity	NPC474691
0.6849	Remote Similarity	NPC125887
0.6849	Remote Similarity	NPC473907
0.6849	Remote Similarity	NPC226661
0.6846	Remote Similarity	NPC159150
0.6846	Remote Similarity	NPC193673
0.6846	Remote Similarity	NPC103947
0.6846	Remote Similarity	NPC101294

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC132308 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	141
0.1-0.2	711
0.2-0.3	946
0.3-0.4	1998
0.4-0.5	2428
0.5-0.6	2038
0.6-0.7	846
0.7-0.8	53
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7857	Intermediate Similarity	NPD3140	Approved
0.7857	Intermediate Similarity	NPD3142	Approved
0.7692	Intermediate Similarity	NPD743	Approved
0.7692	Intermediate Similarity	NPD1241	Discontinued
0.7556	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.7434	Intermediate Similarity	NPD1670	Discontinued
0.7432	Intermediate Similarity	NPD2976	Clinical (unspecified phase)
0.7348	Intermediate Similarity	NPD821	Approved
0.7324	Intermediate Similarity	NPD2614	Approved
0.732	Intermediate Similarity	NPD7131	Phase 3
0.7292	Intermediate Similarity	NPD5745	Approved
0.729	Intermediate Similarity	NPD2592	Discontinued
0.7287	Intermediate Similarity	NPD3134	Approved
0.7285	Intermediate Similarity	NPD3281	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD3451	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD5746	Approved
0.723	Intermediate Similarity	NPD2239	Approved
0.723	Intermediate Similarity	NPD1725	Approved
0.723	Intermediate Similarity	NPD2240	Approved
0.7215	Intermediate Similarity	NPD5967	Approved
0.7208	Intermediate Similarity	NPD5586	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD1337	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD5163	Phase 2
0.7133	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD5192	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD4476	Approved
0.7114	Intermediate Similarity	NPD4477	Approved
0.7107	Intermediate Similarity	NPD7318	Phase 3
0.7101	Intermediate Similarity	NPD2594	Approved
0.7101	Intermediate Similarity	NPD2595	Approved
0.7099	Intermediate Similarity	NPD1358	Approved
0.7097	Intermediate Similarity	NPD7427	Discontinued
0.7092	Intermediate Similarity	NPD3676	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD7577	Discontinued
0.7089	Intermediate Similarity	NPD7317	Phase 3
0.7086	Intermediate Similarity	NPD2654	Approved
0.7078	Intermediate Similarity	NPD3146	Approved
0.7078	Intermediate Similarity	NPD3688	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD4622	Approved
0.7075	Intermediate Similarity	NPD4618	Approved
0.7059	Intermediate Similarity	NPD160	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD2245	Discovery
0.705	Intermediate Similarity	NPD2668	Approved
0.705	Intermediate Similarity	NPD2667	Approved
0.7045	Intermediate Similarity	NPD2684	Approved
0.7044	Intermediate Similarity	NPD6668	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD2186	Approved
0.7032	Intermediate Similarity	NPD1975	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD1894	Discontinued
0.7007	Intermediate Similarity	NPD3596	Phase 2
0.7006	Intermediate Similarity	NPD5441	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD824	Approved
0.7	Intermediate Similarity	NPD3847	Discontinued
0.6994	Remote Similarity	NPD6457	Approved
0.6987	Remote Similarity	NPD3869	Phase 3
0.6987	Remote Similarity	NPD6662	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD3873	Phase 3
0.6986	Remote Similarity	NPD3374	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD5355	Approved
0.6981	Remote Similarity	NPD5356	Approved
0.698	Remote Similarity	NPD5689	Approved
0.698	Remote Similarity	NPD5688	Approved
0.6975	Remote Similarity	NPD6862	Phase 2
0.6972	Remote Similarity	NPD3685	Discontinued
0.6966	Remote Similarity	NPD6832	Phase 2
0.6966	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD7843	Approved
0.6959	Remote Similarity	NPD6355	Discontinued
0.6944	Remote Similarity	NPD1019	Discontinued
0.6939	Remote Similarity	NPD3058	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD3366	Approved
0.6928	Remote Similarity	NPD4110	Phase 3
0.6928	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD196	Phase 1
0.6923	Remote Similarity	NPD6390	Discontinued
0.6923	Remote Similarity	NPD7258	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1876	Approved
0.6918	Remote Similarity	NPD6385	Approved
0.6918	Remote Similarity	NPD7109	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD7110	Phase 1
0.6918	Remote Similarity	NPD6386	Approved
0.6914	Remote Similarity	NPD1309	Phase 2
0.6914	Remote Similarity	NPD1307	Phase 2
0.6913	Remote Similarity	NPD2492	Phase 1
0.6913	Remote Similarity	NPD2653	Approved
0.6908	Remote Similarity	NPD3655	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD2486	Discontinued
0.6901	Remote Similarity	NPD3972	Approved
0.6899	Remote Similarity	NPD3866	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD2979	Phase 3
0.6887	Remote Similarity	NPD2161	Phase 2
0.6879	Remote Similarity	NPD3294	Phase 2
0.6875	Remote Similarity	NPD4098	Discontinued
0.6875	Remote Similarity	NPD2797	Approved
0.6875	Remote Similarity	NPD6844	Discontinued
0.6871	Remote Similarity	NPD6798	Discontinued
0.6871	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD4661	Approved
0.6859	Remote Similarity	NPD4662	Approved
0.6857	Remote Similarity	NPD6382	Discontinued
0.6855	Remote Similarity	NPD6502	Phase 2
0.6855	Remote Similarity	NPD6876	Approved
0.6855	Remote Similarity	NPD6875	Approved
0.6853	Remote Similarity	NPD2429	Approved
0.6853	Remote Similarity	NPD2428	Approved
0.6849	Remote Similarity	NPD4207	Discontinued
0.6848	Remote Similarity	NPD7608	Discontinued
0.6842	Remote Similarity	NPD5373	Approved
0.6842	Remote Similarity	NPD5374	Approved
0.6838	Remote Similarity	NPD5535	Approved
0.6831	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD7018	Phase 2
0.6828	Remote Similarity	NPD5647	Approved
0.6824	Remote Similarity	NPD4062	Phase 3
0.6824	Remote Similarity	NPD6233	Phase 2
0.6821	Remote Similarity	NPD2799	Discontinued
0.6813	Remote Similarity	NPD6873	Phase 2
0.6813	Remote Similarity	NPD6677	Suspended
0.6813	Remote Similarity	NPD2541	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD7157	Approved
0.681	Remote Similarity	NPD8005	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6971	Discontinued
0.6809	Remote Similarity	NPD2556	Approved
0.6809	Remote Similarity	NPD2554	Approved
0.6803	Remote Similarity	NPD3165	Approved
0.6803	Remote Similarity	NPD3167	Approved
0.6803	Remote Similarity	NPD3166	Approved
0.6803	Remote Similarity	NPD3164	Approved
0.68	Remote Similarity	NPD3054	Approved
0.68	Remote Similarity	NPD5525	Clinical (unspecified phase)
0.68	Remote Similarity	NPD3052	Approved
0.6797	Remote Similarity	NPD2424	Discontinued
0.6795	Remote Similarity	NPD4357	Discontinued
0.6792	Remote Similarity	NPD3769	Discontinued
0.679	Remote Similarity	NPD5977	Approved
0.679	Remote Similarity	NPD5978	Approved
0.6786	Remote Similarity	NPD6581	Approved
0.6786	Remote Similarity	NPD6580	Approved
0.6786	Remote Similarity	NPD7177	Discontinued
0.6784	Remote Similarity	NPD7190	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD1481	Phase 2
0.6783	Remote Similarity	NPD9717	Approved
0.6768	Remote Similarity	NPD8245	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD3496	Discontinued
0.6759	Remote Similarity	NPD1820	Approved
0.6759	Remote Similarity	NPD1817	Approved
0.6759	Remote Similarity	NPD3266	Approved
0.6759	Remote Similarity	NPD1770	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD3267	Approved
0.6759	Remote Similarity	NPD1819	Approved
0.6759	Remote Similarity	NPD1818	Approved
0.6757	Remote Similarity	NPD3056	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD3268	Approved
0.6755	Remote Similarity	NPD1536	Approved
0.6753	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD4503	Phase 2
0.6738	Remote Similarity	NPD5585	Approved
0.6738	Remote Similarity	NPD6830	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD3049	Approved
0.6736	Remote Similarity	NPD6583	Phase 3
0.6736	Remote Similarity	NPD6582	Phase 2
0.6736	Remote Similarity	NPD4129	Approved
0.6733	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD3656	Approved
0.6732	Remote Similarity	NPD1375	Discontinued
0.6732	Remote Similarity	NPD5865	Clinical (unspecified phase)
0.6731	Remote Similarity	NPD6666	Approved
0.6731	Remote Similarity	NPD6667	Approved
0.6731	Remote Similarity	NPD5295	Discontinued
0.673	Remote Similarity	NPD4210	Discontinued
0.673	Remote Similarity	NPD4124	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD7972	Discontinued
0.6727	Remote Similarity	NPD2904	Discontinued
0.6727	Remote Similarity	NPD2041	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD2042	Clinical (unspecified phase)
0.6724	Remote Similarity	NPD3863	Clinical (unspecified phase)
0.6723	Remote Similarity	NPD6181	Discontinued
0.6723	Remote Similarity	NPD4466	Phase 1
0.6714	Remote Similarity	NPD5536	Phase 2
0.6713	Remote Similarity	NPD1535	Discovery
0.6712	Remote Similarity	NPD3691	Phase 2
0.6712	Remote Similarity	NPD3690	Phase 2
0.6712	Remote Similarity	NPD2990	Approved
0.6712	Remote Similarity	NPD2987	Approved
0.6711	Remote Similarity	NPD3260	Discontinued
0.671	Remote Similarity	NPD4628	Phase 3
0.671	Remote Similarity	NPD5481	Discontinued
0.6709	Remote Similarity	NPD4186	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD5889	Approved
0.6708	Remote Similarity	NPD5890	Approved
0.6691	Remote Similarity	NPD2557	Approved
0.669	Remote Similarity	NPD17	Approved
0.6689	Remote Similarity	NPD2157	Approved
0.6689	Remote Similarity	NPD3180	Approved
0.6689	Remote Similarity	NPD3179	Approved
0.6687	Remote Similarity	NPD2651	Approved
0.6687	Remote Similarity	NPD2649	Approved
0.6686	Remote Similarity	NPD4419	Clinical (unspecified phase)

Structure

CID132308 OpenBabel06191715492D 24 25 0 0 0 0 0 0 0 0999 V2000 7.1449 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0109 3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1977 3.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 2.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2788 3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 2.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 2.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 1.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 1.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 -0.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 3.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 2 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 15 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	641729
ChEMBL	CHEMBL513572
ZINC

Physicochemical Properties

Molecular Weight:	329.16
ALogP:	1.1658
MLogP:	3
XLogP:	4.411
# Rotatable Bonds:	11
Polar Surface Area:	66.84
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	24

Download Data

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