NPASS Natural Product

Natural Product: NPC32189

Natural Product ID:	NPC32189
Common Name:	Schisandrin C
IUPAC Name:
Synonyms:	Schisandrin C; Wuweizisu C
Molecular Formula:	C22H24O6
Standard InCHIKey:	HTBWBWWADZJXID-TXEJJXNPSA-N
Standard InCHI:	InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+
Canonical SMILES:	COc1c2c(C[C@H](C)[C@@H](Cc3c2c(OC)c2c(c3)OCO2)C)cc2c1OCO2
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO14102	Kadsura interior	Species	Schisandraceae	Eukaryota		PMID[12350139]
NPO33401	schisandra sphenathera	Species	Schisandraceae	Eukaryota	Stems	PMID[23237974]
NPO25917	Sorghum sativum	Species	Poaceae	Eukaryota		UNPD*
NPO16407	Tinospora tuberculata	Species	Menispermaceae	Eukaryota		UNPD*
NPO225	Eupatorium angustifolium	Species	Asteraceae	Eukaryota		UNPD*
NPO26046	Pseudogynoxys engleri	Species	Asteraceae	Eukaryota		UNPD*
NPO25679	Aloe rubroviolacea	Species	Asphodelaceae	Eukaryota		UNPD*
NPO14102	Kadsura interior	Species	Schisandraceae	Eukaryota		HerDing*
NPO24804	Schisandra rubriflora	Species	Schisandraceae	Eukaryota		HerDing*
NPO25239	Kadsura peltigera	Species	Schisandraceae	Eukaryota		HerDing*
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota		HerDing*
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota		TCM_Taiwan*
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota		HerDing*
NPO25539	Alternaria mali	Species	Pleosporaceae	Eukaryota		UNPD*
NPO25648	Gnaphalium liebmannii	Species	Asteraceae	Eukaryota		UNPD*
NPO26233	Helenium autumnale	Species	Asteraceae	Eukaryota		UNPD*
NPO25811	Euphorbia erythraea	Species	Euphorbiaceae	Eukaryota		UNPD*
NPO23979	Synadenium compactum	NA	NA	NA		UNPD*
NPO1753	Schisandrae chinensis fructus	NA	NA	NA		TCMSP*
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota		TM-MC*
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota		TM-MC*
NPO25239	Kadsura peltigera	Species	Schisandraceae	Eukaryota		TCMID*
NPO14102	Kadsura interior	Species	Schisandraceae	Eukaryota		TCMID*
NPO24804	Schisandra rubriflora	Species	Schisandraceae	Eukaryota		TCMID*
NPO7385	Schisandra sphenanthera	Species	Schisandraceae	Eukaryota		TCMID*
NPO8187	Schisandra chinensis	Species	Schisandraceae	Eukaryota		TCMID*

Biological Activity

Activity Type	# Activity
EC50	1
IC50	13
Others	6

Activity Type	# Activity
Cell Line	11
Organism	2
Others	7

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	>	100000	nM	18063366
NPT1086	Cell Line	SK-HEP1	Homo sapiens	IC50	>	100000	nM	18063366
NPT2548	Cell Line	SNU-638	Homo sapiens	IC50	>	100000	nM	18063366
NPT396	Cell Line	T47D	Homo sapiens	IC50	>	100000	nM	18063366
NPT148	Cell Line	HCT-15	Homo sapiens	IC50	>	100000	nM	18063366
NPT111	Cell Line	K562	Homo sapiens	IC50	>	100000	nM	18063366
NPT81	Cell Line	A549	Homo sapiens	IC50	>	100000	nM	18063366
NPT1114	Organism	Human immunodeficiency virus	Human immunodeficiency virus	EC50	=	1.2	ug/ml	14987069
NPT1114	Organism	Human immunodeficiency virus	Human immunodeficiency virus	IC50	=	3100	nM	9834179
NPT2	Others	Unspecified		Activity	=	2.6	%	12350139
NPT2	Others	Unspecified		Activity	=	50.7	%	12350139
NPT2	Others	Unspecified		Activity	=	73.6	%	12350139
NPT2	Others	Unspecified		Activity	=	92.1	%	12350139
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	70	%	12350139
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	41200	nM	16562834
NPT2	Others	Unspecified		IC50	>	100000	nM	23237974
NPT165	Cell Line	HeLa	Homo sapiens	IC50	>	100000	nM	23237974
NPT659	Cell Line	SMMC-7721	Homo sapiens	IC50	>	100000	nM	23237974
NPT2	Others	Unspecified		Activity	=	187	%	25302569

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 NPC32189 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	374
0.1-0.2	1321
0.2-0.3	2953
0.3-0.4	8215
0.4-0.5	5102
0.5-0.6	3189
0.6-0.7	6979
0.7-0.8	2137
0.8-0.85	392
0.85-0.9	167
0.9-0.95	54
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.9845	High Similarity	NPC256776
0.9845	High Similarity	NPC145722
0.9845	High Similarity	NPC185680
0.9549	High Similarity	NPC53722
0.9549	High Similarity	NPC290714
0.9549	High Similarity	NPC201404
0.9485	High Similarity	NPC172171
0.9485	High Similarity	NPC239254
0.9478	High Similarity	NPC103448
0.9478	High Similarity	NPC216434
0.9416	High Similarity	NPC475868
0.9348	High Similarity	NPC252286
0.9348	High Similarity	NPC154971
0.9338	High Similarity	NPC133934
0.9338	High Similarity	NPC103637
0.9338	High Similarity	NPC230538
0.9338	High Similarity	NPC229172
0.9338	High Similarity	NPC184684
0.9338	High Similarity	NPC474295
0.9338	High Similarity	NPC36531
0.9338	High Similarity	NPC184641
0.927	High Similarity	NPC324962
0.927	High Similarity	NPC76415
0.927	High Similarity	NPC218510
0.9242	High Similarity	NPC72046
0.9242	High Similarity	NPC261812
0.9242	High Similarity	NPC65183
0.9231	High Similarity	NPC149008
0.9231	High Similarity	NPC207702
0.9231	High Similarity	NPC283114
0.9203	High Similarity	NPC73467
0.9203	High Similarity	NPC121661
0.9203	High Similarity	NPC326144
0.9185	High Similarity	NPC196420
0.9173	High Similarity	NPC266848
0.9173	High Similarity	NPC136750
0.9167	High Similarity	NPC192255
0.9149	High Similarity	NPC85141
0.9137	High Similarity	NPC189239
0.9137	High Similarity	NPC166506
0.9137	High Similarity	NPC197352
0.9137	High Similarity	NPC110763
0.9137	High Similarity	NPC318286
0.9137	High Similarity	NPC327651
0.9118	High Similarity	NPC9068
0.9104	High Similarity	NPC31530
0.9098	High Similarity	NPC7744
0.9091	High Similarity	NPC258483
0.9085	High Similarity	NPC473989
0.9071	High Similarity	NPC321958
0.9071	High Similarity	NPC321696
0.9037	High Similarity	NPC49235
0.9037	High Similarity	NPC25333
0.9037	High Similarity	NPC148893
0.9037	High Similarity	NPC189474
0.9037	High Similarity	NPC150534
0.9037	High Similarity	NPC474139
0.9023	High Similarity	NPC141493
0.9023	High Similarity	NPC184928
0.9021	High Similarity	NPC303519
0.8986	High Similarity	NPC312199
0.8971	High Similarity	NPC197166
0.8971	High Similarity	NPC121651
0.8971	High Similarity	NPC11453
0.8955	High Similarity	NPC102256
0.8955	High Similarity	NPC475856
0.8944	High Similarity	NPC316676
0.8944	High Similarity	NPC198129
0.8944	High Similarity	NPC252281
0.8944	High Similarity	NPC477375
0.8944	High Similarity	NPC325720
0.8944	High Similarity	NPC327352
0.8936	High Similarity	NPC33832
0.8936	High Similarity	NPC87295
0.8921	High Similarity	NPC472562
0.8921	High Similarity	NPC80326
0.8905	High Similarity	NPC283949
0.8905	High Similarity	NPC185908
0.8889	High Similarity	NPC196937
0.8881	High Similarity	NPC322426
0.8881	High Similarity	NPC477374
0.8881	High Similarity	NPC477376
0.8873	High Similarity	NPC116019
0.8864	High Similarity	NPC8050
0.8864	High Similarity	NPC473093
0.8864	High Similarity	NPC473092
0.8857	High Similarity	NPC474808
0.8849	High Similarity	NPC58137
0.8849	High Similarity	NPC300798
0.8841	High Similarity	NPC113550
0.8841	High Similarity	NPC30951
0.8841	High Similarity	NPC6369
0.8836	High Similarity	NPC348849
0.8836	High Similarity	NPC198461
0.8836	High Similarity	NPC312763
0.8836	High Similarity	NPC178195
0.8824	High Similarity	NPC289258
0.8824	High Similarity	NPC7515
0.8824	High Similarity	NPC56764
0.8824	High Similarity	NPC276026
0.8824	High Similarity	NPC188378
0.8824	High Similarity	NPC555
0.8824	High Similarity	NPC206737
0.8824	High Similarity	NPC469659
0.8819	High Similarity	NPC316989
0.8797	High Similarity	NPC328682
0.8797	High Similarity	NPC57119
0.8797	High Similarity	NPC82862
0.8797	High Similarity	NPC54321
0.8797	High Similarity	NPC281864
0.8797	High Similarity	NPC222127
0.8797	High Similarity	NPC158471
0.8797	High Similarity	NPC165128
0.8797	High Similarity	NPC226862
0.8786	High Similarity	NPC174522
0.8786	High Similarity	NPC191231
0.8777	High Similarity	NPC284464
0.8777	High Similarity	NPC46591
0.8777	High Similarity	NPC226547
0.8777	High Similarity	NPC56091
0.8777	High Similarity	NPC177868
0.8768	High Similarity	NPC865
0.8759	High Similarity	NPC240279
0.8759	High Similarity	NPC214853
0.8759	High Similarity	NPC180602
0.8759	High Similarity	NPC55239
0.8759	High Similarity	NPC475756
0.8759	High Similarity	NPC224472
0.875	High Similarity	NPC1474
0.8741	High Similarity	NPC82111
0.8741	High Similarity	NPC227160
0.8732	High Similarity	NPC205316
0.8732	High Similarity	NPC180953
0.8722	High Similarity	NPC471986
0.8699	High Similarity	NPC471154
0.8699	High Similarity	NPC477378
0.8699	High Similarity	NPC220577
0.8699	High Similarity	NPC475229
0.8696	High Similarity	NPC143895
0.8696	High Similarity	NPC133025
0.8692	High Similarity	NPC301641
0.8692	High Similarity	NPC80241
0.8686	High Similarity	NPC90083
0.8686	High Similarity	NPC170779
0.8681	High Similarity	NPC304821
0.8667	High Similarity	NPC184814
0.8667	High Similarity	NPC470624
0.8667	High Similarity	NPC237169
0.8667	High Similarity	NPC271208
0.8667	High Similarity	NPC233224
0.8667	High Similarity	NPC63574
0.8652	High Similarity	NPC287124
0.8647	High Similarity	NPC186845
0.8647	High Similarity	NPC285725
0.8647	High Similarity	NPC9891
0.8647	High Similarity	NPC50683
0.8647	High Similarity	NPC88297
0.8647	High Similarity	NPC112571
0.8639	High Similarity	NPC217708
0.8639	High Similarity	NPC477377
0.8639	High Similarity	NPC77237
0.8639	High Similarity	NPC474514
0.8639	High Similarity	NPC16791
0.8639	High Similarity	NPC297271
0.8639	High Similarity	NPC24562
0.8639	High Similarity	NPC308739
0.8639	High Similarity	NPC474606
0.8639	High Similarity	NPC126405
0.8639	High Similarity	NPC53669
0.8636	High Similarity	NPC283170
0.8636	High Similarity	NPC92869
0.8636	High Similarity	NPC191768
0.8633	High Similarity	NPC86605
0.8633	High Similarity	NPC474039
0.8633	High Similarity	NPC156948
0.8633	High Similarity	NPC3072
0.8633	High Similarity	NPC46277
0.8633	High Similarity	NPC261714
0.8633	High Similarity	NPC301765
0.8626	High Similarity	NPC211231
0.8623	High Similarity	NPC236522
0.8613	High Similarity	NPC471390
0.8613	High Similarity	NPC471391
0.8613	High Similarity	NPC58585
0.8592	High Similarity	NPC474288
0.8592	High Similarity	NPC12728
0.8592	High Similarity	NPC255566
0.8592	High Similarity	NPC298317
0.8592	High Similarity	NPC185071
0.8592	High Similarity	NPC265154
0.8582	High Similarity	NPC189248
0.8582	High Similarity	NPC177167
0.8582	High Similarity	NPC202904
0.8581	High Similarity	NPC473425
0.8571	High Similarity	NPC471183
0.8562	High Similarity	NPC149505
0.8561	High Similarity	NPC78047
0.8552	High Similarity	NPC71726
0.855	High Similarity	NPC477886
0.854	High Similarity	NPC171928

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC32189 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	350
0.1-0.2	955
0.2-0.3	1608
0.3-0.4	2951
0.4-0.5	1754
0.5-0.6	991
0.6-0.7	489
0.7-0.8	56
0.8-0.85	6
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.855	High Similarity	NPD3705	Approved
0.8224	Intermediate Similarity	NPD4965	Approved
0.8224	Intermediate Similarity	NPD4966	Approved
0.8224	Intermediate Similarity	NPD4967	Phase 2
0.8146	Intermediate Similarity	NPD37	Approved
0.8117	Intermediate Similarity	NPD6234	Discontinued
0.8	Intermediate Similarity	NPD5283	Phase 1
0.7929	Intermediate Similarity	NPD3027	Phase 3
0.7914	Intermediate Similarity	NPD3018	Phase 2
0.7898	Intermediate Similarity	NPD7199	Phase 2
0.781	Intermediate Similarity	NPD2981	Phase 2
0.7799	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7764	Intermediate Similarity	NPD7228	Approved
0.7754	Intermediate Similarity	NPD2982	Phase 2
0.7754	Intermediate Similarity	NPD2983	Phase 2
0.7718	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.766	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7606	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7584	Intermediate Similarity	NPD6674	Discontinued
0.7576	Intermediate Similarity	NPD7240	Approved
0.7517	Intermediate Similarity	NPD1613	Approved
0.7517	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7383	Intermediate Similarity	NPD3539	Phase 1
0.7368	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7361	Intermediate Similarity	NPD4908	Phase 1
0.7333	Intermediate Similarity	NPD3540	Phase 1
0.732	Intermediate Similarity	NPD7124	Phase 2
0.731	Intermediate Similarity	NPD4625	Phase 3
0.7267	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD1357	Approved
0.726	Intermediate Similarity	NPD5111	Phase 2
0.726	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD5109	Approved
0.726	Intermediate Similarity	NPD5110	Phase 2
0.7248	Intermediate Similarity	NPD6111	Discontinued
0.7235	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD1610	Phase 2
0.7222	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD6232	Discontinued
0.7178	Intermediate Similarity	NPD5494	Approved
0.7169	Intermediate Similarity	NPD7473	Discontinued
0.716	Intermediate Similarity	NPD4055	Discovery
0.7152	Intermediate Similarity	NPD6055	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD4005	Discontinued
0.7133	Intermediate Similarity	NPD4749	Approved
0.7133	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD3818	Discontinued
0.7122	Intermediate Similarity	NPD5536	Phase 2
0.7114	Intermediate Similarity	NPD3657	Discovery
0.7101	Intermediate Similarity	NPD709	Approved
0.7089	Intermediate Similarity	NPD1653	Approved
0.7086	Intermediate Similarity	NPD4108	Discontinued
0.7055	Intermediate Similarity	NPD2861	Phase 2
0.7047	Intermediate Similarity	NPD3620	Phase 2
0.7047	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD4060	Phase 1
0.7019	Intermediate Similarity	NPD3384	Approved
0.7019	Intermediate Similarity	NPD3383	Approved
0.7019	Intermediate Similarity	NPD3382	Approved
0.7	Intermediate Similarity	NPD7028	Phase 2
0.6993	Remote Similarity	NPD1375	Discontinued
0.6993	Remote Similarity	NPD1091	Approved
0.6982	Remote Similarity	NPD5844	Phase 1
0.6968	Remote Similarity	NPD3892	Phase 2
0.6957	Remote Similarity	NPD5090	Approved
0.6957	Remote Similarity	NPD5089	Approved
0.695	Remote Similarity	NPD1548	Phase 1
0.6946	Remote Similarity	NPD3926	Phase 2
0.6944	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD7074	Phase 3
0.6934	Remote Similarity	NPD228	Approved
0.6933	Remote Similarity	NPD3817	Phase 2
0.6933	Remote Similarity	NPD6374	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD1934	Approved
0.6913	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD1651	Approved
0.6901	Remote Similarity	NPD5691	Approved
0.689	Remote Similarity	NPD3882	Suspended
0.6886	Remote Similarity	NPD7229	Phase 3
0.6882	Remote Similarity	NPD7054	Approved
0.6875	Remote Similarity	NPD1281	Approved
0.6875	Remote Similarity	NPD1611	Approved
0.6871	Remote Similarity	NPD2801	Approved
0.6871	Remote Similarity	NPD1465	Phase 2
0.6871	Remote Similarity	NPD4585	Approved
0.6863	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD3748	Approved
0.6863	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD7466	Approved
0.6857	Remote Similarity	NPD6387	Discontinued
0.6853	Remote Similarity	NPD4626	Approved
0.6849	Remote Similarity	NPD2922	Phase 1
0.6842	Remote Similarity	NPD7472	Approved
0.6839	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD4357	Discontinued
0.6832	Remote Similarity	NPD7261	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD5005	Approved
0.6831	Remote Similarity	NPD5006	Approved
0.6821	Remote Similarity	NPD2979	Phase 3
0.6818	Remote Similarity	NPD2438	Suspended
0.6812	Remote Similarity	NPD1137	Approved
0.6812	Remote Similarity	NPD1139	Approved
0.6807	Remote Similarity	NPD919	Approved
0.68	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD6895	Approved
0.6797	Remote Similarity	NPD6896	Approved
0.6793	Remote Similarity	NPD7680	Approved
0.6788	Remote Similarity	NPD3021	Approved
0.6788	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD4750	Phase 3
0.6788	Remote Similarity	NPD3022	Approved
0.6786	Remote Similarity	NPD3787	Discontinued
0.6781	Remote Similarity	NPD5327	Phase 3
0.6781	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD5763	Approved
0.6774	Remote Similarity	NPD5762	Approved
0.6774	Remote Similarity	NPD7266	Discontinued
0.6772	Remote Similarity	NPD6783	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD5058	Phase 3
0.6768	Remote Similarity	NPD2978	Approved
0.6768	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD2977	Approved
0.6763	Remote Similarity	NPD1138	Approved
0.6763	Remote Similarity	NPD6559	Discontinued
0.6755	Remote Similarity	NPD554	Clinical (unspecified phase)
0.675	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD5126	Approved
0.6736	Remote Similarity	NPD5125	Phase 3
0.6735	Remote Similarity	NPD1283	Approved
0.6735	Remote Similarity	NPD6696	Suspended
0.6733	Remote Similarity	NPD2669	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD4097	Suspended
0.6731	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.673	Remote Similarity	NPD5297	Approved
0.6726	Remote Similarity	NPD1247	Approved
0.6725	Remote Similarity	NPD8099	Discontinued
0.6725	Remote Similarity	NPD8252	Approved
0.6725	Remote Similarity	NPD8251	Approved
0.6724	Remote Similarity	NPD7808	Phase 3
0.6723	Remote Similarity	NPD6842	Approved
0.6723	Remote Similarity	NPD6841	Approved
0.6723	Remote Similarity	NPD6843	Phase 3
0.6711	Remote Similarity	NPD2238	Phase 2
0.671	Remote Similarity	NPD6099	Approved
0.671	Remote Similarity	NPD6100	Approved
0.6709	Remote Similarity	NPD2219	Phase 1
0.6705	Remote Similarity	NPD6797	Phase 2
0.6703	Remote Similarity	NPD4420	Approved
0.6688	Remote Similarity	NPD4236	Phase 3
0.6688	Remote Similarity	NPD4237	Approved
0.6688	Remote Similarity	NPD5177	Phase 3
0.6687	Remote Similarity	NPD4584	Approved
0.6687	Remote Similarity	NPD4675	Approved
0.6687	Remote Similarity	NPD6788	Approved
0.6687	Remote Similarity	NPD4678	Approved
0.6687	Remote Similarity	NPD2534	Approved
0.6687	Remote Similarity	NPD2532	Approved
0.6687	Remote Similarity	NPD2533	Approved
0.6686	Remote Similarity	NPD8156	Discontinued
0.6667	Remote Similarity	NPD6355	Discontinued
0.6667	Remote Similarity	NPD1933	Approved
0.6667	Remote Similarity	NPD4210	Discontinued
0.6667	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5735	Approved
0.6667	Remote Similarity	NPD5451	Approved
0.6667	Remote Similarity	NPD1669	Approved
0.6667	Remote Similarity	NPD7819	Suspended
0.6667	Remote Similarity	NPD7251	Discontinued
0.6667	Remote Similarity	NPD5563	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD5242	Approved
0.6646	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD4110	Phase 3
0.6646	Remote Similarity	NPD3750	Approved
0.6646	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.6644	Remote Similarity	NPD422	Phase 1
0.6644	Remote Similarity	NPD4624	Approved
0.6643	Remote Similarity	NPD5535	Approved
0.6629	Remote Similarity	NPD7549	Discontinued
0.6629	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD2563	Approved
0.6627	Remote Similarity	NPD2560	Approved
0.6627	Remote Similarity	NPD2358	Clinical (unspecified phase)
0.6625	Remote Similarity	NPD1511	Approved
0.6624	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6624	Remote Similarity	NPD2808	Discontinued
0.6623	Remote Similarity	NPD2492	Phase 1
0.6622	Remote Similarity	NPD8651	Approved
0.6621	Remote Similarity	NPD17	Approved
0.662	Remote Similarity	NPD7157	Approved
0.6608	Remote Similarity	NPD6166	Phase 2
0.6608	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6608	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6608	Remote Similarity	NPD4481	Phase 3

Structure

CID32189 OpenBabel06191715362D 28 32 0 0 1 0 0 0 0 0999 V2000 2.8813 -5.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2198 -5.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6773 1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1867 -3.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 -3.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 -2.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0054 -2.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0307 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9296 -0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5212 -4.2635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5800 -4.2635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1867 -2.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9145 -2.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3394 -1.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 -1.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5212 -1.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -1.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 -0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 -0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7648 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 -1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4337 0.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6674 0.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1780 -1.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 -1.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1011 -0.0000 0.0000 O 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 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 13 2 0 0 0 0 7 15 1 0 0 0 0 8 14 2 0 0 0 0 8 16 1 0 0 0 0 9 25 1 0 0 0 0 9 27 1 0 0 0 0 10 26 1 0 0 0 0 10 28 1 0 0 0 0 11 1 1 6 0 0 0 11 12 1 0 0 0 0 12 2 1 6 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	443027
ChEMBL	CHEMBL437412
ZINC

Physicochemical Properties

Molecular Weight:	384.16
ALogP:	0.2002
MLogP:	3.22
XLogP:	4.41
# Rotatable Bonds:	6
Polar Surface Area:	55.38
# H-Bond Aceptor:	0
# H-Bond Donor:	0
# Rings:	5
# Heavy Atoms:	28

Download Data

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