NPASS Natural Product

Natural Product: NPC264378

Natural Product ID:	NPC264378
Common Name:	(3R,4R,5R,6R,7R)-3-Acetyl-13-Deoxyphomenone
IUPAC Name:	[(1aR,6R,7R,7aR,7bR)-7,7a-dimethyl-2-oxo-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-6-yl] acetate
Synonyms:
Molecular Formula:	C17H22O4
Standard InCHIKey:	CAABNZJDJAYFFQ-CRJBSTRQSA-N
Standard InCHI:	InChI=1S/C17H22O4/c1-9(2)17-14(19)8-12-6-7-13(20-11(4)18)10(3)16(12,5)15(17)21-17/h8,10,13,15H,1,6-7H2,2-5H3/t10-,13+,15+,16+,17-/m0/s1
Canonical SMILES:	CC(=O)O[C@@H]1CCC2=CC(=O)[C@]3([C@@H]([C@@]2([C@H]1C)C)O3)C(=C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO32481	Penicillium copticola	Under-species	NA	NA				PMID[25734623]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	2
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	7510	nM	16643036
NPT91	Cell Line	KB	Homo sapiens	IC50	=	35720	nM	PubChem BioAssay data set
NPT485	Organism	Plasmodium falciparum (isolate K1 / Thailand)	Plasmodium falciparum K1	IC50	=	4550	nM	15646539

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 NPC264378 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	172
0.1-0.2	967
0.2-0.3	2917
0.3-0.4	5248
0.4-0.5	10284
0.5-0.6	5212
0.6-0.7	4585
0.7-0.8	1469
0.8-0.85	26
0.85-0.9	8
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9	High Similarity	NPC322903
0.8947	High Similarity	NPC94337
0.8776	High Similarity	NPC112613
0.8738	High Similarity	NPC317107
0.8673	High Similarity	NPC469551
0.8654	High Similarity	NPC317687
0.8586	High Similarity	NPC207885
0.8571	High Similarity	NPC159333
0.8542	High Similarity	NPC38830
0.8469	Intermediate Similarity	NPC471916
0.8411	Intermediate Similarity	NPC270478
0.837	Intermediate Similarity	NPC60951
0.8351	Intermediate Similarity	NPC470697
0.8333	Intermediate Similarity	NPC473944
0.83	Intermediate Similarity	NPC472972
0.8261	Intermediate Similarity	NPC222358
0.8241	Intermediate Similarity	NPC477509
0.8235	Intermediate Similarity	NPC131366
0.8218	Intermediate Similarity	NPC476478
0.8173	Intermediate Similarity	NPC475510
0.8173	Intermediate Similarity	NPC474716
0.8173	Intermediate Similarity	NPC475587
0.8155	Intermediate Similarity	NPC477127
0.8137	Intermediate Similarity	NPC478176
0.8113	Intermediate Similarity	NPC253906
0.8095	Intermediate Similarity	NPC473595
0.8095	Intermediate Similarity	NPC473939
0.8058	Intermediate Similarity	NPC474166
0.8058	Intermediate Similarity	NPC19239
0.8056	Intermediate Similarity	NPC33360
0.802	Intermediate Similarity	NPC316598
0.8019	Intermediate Similarity	NPC474242
0.8019	Intermediate Similarity	NPC87335
0.8019	Intermediate Similarity	NPC469370
0.8	Intermediate Similarity	NPC202833
0.7981	Intermediate Similarity	NPC470297
0.7963	Intermediate Similarity	NPC471933
0.7959	Intermediate Similarity	NPC49420
0.7959	Intermediate Similarity	NPC20713
0.7944	Intermediate Similarity	NPC281624
0.7944	Intermediate Similarity	NPC473843
0.7944	Intermediate Similarity	NPC473594
0.7944	Intermediate Similarity	NPC474586
0.7944	Intermediate Similarity	NPC473975
0.7941	Intermediate Similarity	NPC476933
0.7941	Intermediate Similarity	NPC54705
0.7938	Intermediate Similarity	NPC280833
0.7938	Intermediate Similarity	NPC73995
0.7928	Intermediate Similarity	NPC470420
0.7925	Intermediate Similarity	NPC151393
0.7925	Intermediate Similarity	NPC476479
0.7921	Intermediate Similarity	NPC84335
0.7921	Intermediate Similarity	NPC287668
0.7921	Intermediate Similarity	NPC100912
0.7921	Intermediate Similarity	NPC38530
0.7905	Intermediate Similarity	NPC470975
0.7905	Intermediate Similarity	NPC103088
0.7905	Intermediate Similarity	NPC470979
0.7905	Intermediate Similarity	NPC1679
0.79	Intermediate Similarity	NPC476519
0.7895	Intermediate Similarity	NPC476678
0.7895	Intermediate Similarity	NPC120724
0.789	Intermediate Similarity	NPC477126
0.7885	Intermediate Similarity	NPC254202
0.7885	Intermediate Similarity	NPC95899
0.7879	Intermediate Similarity	NPC271652
0.7879	Intermediate Similarity	NPC475657
0.787	Intermediate Similarity	NPC194619
0.787	Intermediate Similarity	NPC171888
0.787	Intermediate Similarity	NPC146945
0.7864	Intermediate Similarity	NPC472643
0.7857	Intermediate Similarity	NPC152467
0.7857	Intermediate Similarity	NPC8062
0.785	Intermediate Similarity	NPC471934
0.7843	Intermediate Similarity	NPC107806
0.7843	Intermediate Similarity	NPC72647
0.7843	Intermediate Similarity	NPC216478
0.7838	Intermediate Similarity	NPC469684
0.7835	Intermediate Similarity	NPC477128
0.7835	Intermediate Similarity	NPC215831
0.783	Intermediate Similarity	NPC180744
0.783	Intermediate Similarity	NPC469558
0.7822	Intermediate Similarity	NPC209297
0.7822	Intermediate Similarity	NPC475380
0.7822	Intermediate Similarity	NPC476275
0.7812	Intermediate Similarity	NPC220478
0.7812	Intermediate Similarity	NPC261253
0.7812	Intermediate Similarity	NPC474045
0.781	Intermediate Similarity	NPC146731
0.78	Intermediate Similarity	NPC477129
0.78	Intermediate Similarity	NPC140277
0.78	Intermediate Similarity	NPC477439
0.78	Intermediate Similarity	NPC477130
0.78	Intermediate Similarity	NPC84893
0.7798	Intermediate Similarity	NPC473877
0.7798	Intermediate Similarity	NPC277769
0.7789	Intermediate Similarity	NPC474359
0.7788	Intermediate Similarity	NPC273005
0.7788	Intermediate Similarity	NPC476081
0.7788	Intermediate Similarity	NPC469606
0.7788	Intermediate Similarity	NPC162973
0.7788	Intermediate Similarity	NPC137430
0.7788	Intermediate Similarity	NPC39996
0.7788	Intermediate Similarity	NPC31058
0.7768	Intermediate Similarity	NPC240509
0.7767	Intermediate Similarity	NPC471413
0.7767	Intermediate Similarity	NPC174314
0.7767	Intermediate Similarity	NPC474012
0.7767	Intermediate Similarity	NPC104861
0.7767	Intermediate Similarity	NPC476299
0.7757	Intermediate Similarity	NPC476802
0.7757	Intermediate Similarity	NPC472439
0.7757	Intermediate Similarity	NPC469916
0.7757	Intermediate Similarity	NPC89171
0.7755	Intermediate Similarity	NPC284561
0.7755	Intermediate Similarity	NPC475971
0.7745	Intermediate Similarity	NPC311241
0.7745	Intermediate Similarity	NPC474921
0.7745	Intermediate Similarity	NPC475446
0.7736	Intermediate Similarity	NPC123726
0.7736	Intermediate Similarity	NPC284365
0.7736	Intermediate Similarity	NPC111952
0.7736	Intermediate Similarity	NPC472645
0.7736	Intermediate Similarity	NPC469607
0.7732	Intermediate Similarity	NPC175293
0.7727	Intermediate Similarity	NPC472926
0.7727	Intermediate Similarity	NPC208998
0.7727	Intermediate Similarity	NPC7921
0.7723	Intermediate Similarity	NPC477437
0.7723	Intermediate Similarity	NPC477438
0.7719	Intermediate Similarity	NPC67569
0.7714	Intermediate Similarity	NPC8196
0.7714	Intermediate Similarity	NPC99266
0.7714	Intermediate Similarity	NPC159533
0.7714	Intermediate Similarity	NPC275583
0.7708	Intermediate Similarity	NPC189311
0.7708	Intermediate Similarity	NPC96621
0.7706	Intermediate Similarity	NPC96739
0.7706	Intermediate Similarity	NPC174471
0.7706	Intermediate Similarity	NPC474871
0.7706	Intermediate Similarity	NPC207689
0.7706	Intermediate Similarity	NPC260786
0.7706	Intermediate Similarity	NPC470960
0.77	Intermediate Similarity	NPC476598
0.77	Intermediate Similarity	NPC477436
0.77	Intermediate Similarity	NPC477435
0.77	Intermediate Similarity	NPC476597
0.7699	Intermediate Similarity	NPC475520
0.7699	Intermediate Similarity	NPC476960
0.7692	Intermediate Similarity	NPC471412
0.7685	Intermediate Similarity	NPC475922
0.7684	Intermediate Similarity	NPC193198
0.7679	Intermediate Similarity	NPC53396
0.7679	Intermediate Similarity	NPC243065
0.7679	Intermediate Similarity	NPC98249
0.7677	Intermediate Similarity	NPC469718
0.7677	Intermediate Similarity	NPC161638
0.7677	Intermediate Similarity	NPC475776
0.7677	Intermediate Similarity	NPC329857
0.7672	Intermediate Similarity	NPC24651
0.7672	Intermediate Similarity	NPC470922
0.767	Intermediate Similarity	NPC176845
0.767	Intermediate Similarity	NPC252295
0.767	Intermediate Similarity	NPC222303
0.767	Intermediate Similarity	NPC471932
0.7664	Intermediate Similarity	NPC3316
0.7664	Intermediate Similarity	NPC266514
0.7664	Intermediate Similarity	NPC471601
0.7664	Intermediate Similarity	NPC143609
0.7664	Intermediate Similarity	NPC144854
0.7658	Intermediate Similarity	NPC238667
0.7653	Intermediate Similarity	NPC69713
0.7653	Intermediate Similarity	NPC475902
0.7653	Intermediate Similarity	NPC93411
0.7652	Intermediate Similarity	NPC470265
0.7652	Intermediate Similarity	NPC23786
0.7652	Intermediate Similarity	NPC312833
0.7647	Intermediate Similarity	NPC194132
0.7642	Intermediate Similarity	NPC296950
0.7636	Intermediate Similarity	NPC265499
0.7636	Intermediate Similarity	NPC17138
0.7636	Intermediate Similarity	NPC221511
0.7636	Intermediate Similarity	NPC90952
0.7636	Intermediate Similarity	NPC151216
0.7636	Intermediate Similarity	NPC170212
0.7636	Intermediate Similarity	NPC475391
0.7636	Intermediate Similarity	NPC101825
0.7636	Intermediate Similarity	NPC269530
0.7636	Intermediate Similarity	NPC89227
0.7636	Intermediate Similarity	NPC4573
0.7636	Intermediate Similarity	NPC215643
0.7629	Intermediate Similarity	NPC469676
0.7629	Intermediate Similarity	NPC202394
0.7624	Intermediate Similarity	NPC473434
0.7624	Intermediate Similarity	NPC161998
0.7624	Intermediate Similarity	NPC476596
0.7624	Intermediate Similarity	NPC471446
0.7624	Intermediate Similarity	NPC148463
0.7624	Intermediate Similarity	NPC474841
0.7619	Intermediate Similarity	NPC80781

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC264378 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	178
0.1-0.2	1490
0.2-0.3	3621
0.3-0.4	2429
0.4-0.5	936
0.5-0.6	262
0.6-0.7	169
0.7-0.8	76
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
0.7905	Intermediate Similarity	NPD6008	Approved
0.76	Intermediate Similarity	NPD5693	Phase 1
0.7526	Intermediate Similarity	NPD1694	Approved
0.75	Intermediate Similarity	NPD5954	Clinical (unspecified phase)
0.7475	Intermediate Similarity	NPD6672	Approved
0.7475	Intermediate Similarity	NPD5737	Approved
0.7451	Intermediate Similarity	NPD7900	Approved
0.7451	Intermediate Similarity	NPD7901	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD7128	Approved
0.7407	Intermediate Similarity	NPD5739	Approved
0.7407	Intermediate Similarity	NPD6675	Approved
0.7407	Intermediate Similarity	NPD6402	Approved
0.7368	Intermediate Similarity	NPD7115	Discovery
0.7364	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD5697	Approved
0.7339	Intermediate Similarity	NPD5701	Approved
0.7333	Intermediate Similarity	NPD7638	Approved
0.7328	Intermediate Similarity	NPD6319	Approved
0.7297	Intermediate Similarity	NPD5955	Clinical (unspecified phase)
0.7282	Intermediate Similarity	NPD7748	Approved
0.7273	Intermediate Similarity	NPD7320	Approved
0.7273	Intermediate Similarity	NPD6899	Approved
0.7273	Intermediate Similarity	NPD6011	Approved
0.7273	Intermediate Similarity	NPD6881	Approved
0.7264	Intermediate Similarity	NPD7639	Approved
0.7264	Intermediate Similarity	NPD7640	Approved
0.7238	Intermediate Similarity	NPD7902	Approved
0.7228	Intermediate Similarity	NPD6904	Approved
0.7228	Intermediate Similarity	NPD6673	Approved
0.7228	Intermediate Similarity	NPD6080	Approved
0.7216	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD5695	Phase 3
0.7207	Intermediate Similarity	NPD6013	Approved
0.7207	Intermediate Similarity	NPD6372	Approved
0.7207	Intermediate Similarity	NPD6014	Approved
0.7207	Intermediate Similarity	NPD6373	Approved
0.7207	Intermediate Similarity	NPD6012	Approved
0.72	Intermediate Similarity	NPD3573	Approved
0.7157	Intermediate Similarity	NPD5692	Phase 3
0.7143	Intermediate Similarity	NPD7102	Approved
0.7143	Intermediate Similarity	NPD7290	Approved
0.7143	Intermediate Similarity	NPD6883	Approved
0.7117	Intermediate Similarity	NPD5345	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD5282	Discontinued
0.7105	Intermediate Similarity	NPD4632	Approved
0.71	Intermediate Similarity	NPD6409	Approved
0.71	Intermediate Similarity	NPD7521	Approved
0.71	Intermediate Similarity	NPD7146	Approved
0.71	Intermediate Similarity	NPD7334	Approved
0.71	Intermediate Similarity	NPD6684	Approved
0.71	Intermediate Similarity	NPD5330	Approved
0.7087	Intermediate Similarity	NPD7515	Phase 2
0.7087	Intermediate Similarity	NPD5694	Approved
0.7087	Intermediate Similarity	NPD6050	Approved
0.7083	Intermediate Similarity	NPD7492	Approved
0.708	Intermediate Similarity	NPD6617	Approved
0.708	Intermediate Similarity	NPD6401	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD6649	Approved
0.708	Intermediate Similarity	NPD6869	Approved
0.708	Intermediate Similarity	NPD6650	Approved
0.708	Intermediate Similarity	NPD6847	Approved
0.708	Intermediate Similarity	NPD8130	Phase 1
0.7075	Intermediate Similarity	NPD6084	Phase 2
0.7075	Intermediate Similarity	NPD6083	Phase 2
0.7069	Intermediate Similarity	NPD6009	Approved
0.7048	Intermediate Similarity	NPD6356	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD6059	Approved
0.7034	Intermediate Similarity	NPD6054	Approved
0.7025	Intermediate Similarity	NPD6616	Approved
0.7019	Intermediate Similarity	NPD6399	Phase 3
0.7018	Intermediate Similarity	NPD6882	Approved
0.7018	Intermediate Similarity	NPD8297	Approved
0.7009	Intermediate Similarity	NPD5696	Approved
0.7009	Intermediate Similarity	NPD4225	Approved
0.7	Intermediate Similarity	NPD7604	Phase 2
0.7	Intermediate Similarity	NPD8328	Phase 3
0.699	Remote Similarity	NPD6698	Approved
0.699	Remote Similarity	NPD46	Approved
0.6975	Remote Similarity	NPD5983	Phase 2
0.6975	Remote Similarity	NPD6016	Approved
0.6975	Remote Similarity	NPD6015	Approved
0.6967	Remote Similarity	NPD7078	Approved
0.6967	Remote Similarity	NPD8293	Discontinued
0.6961	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD6903	Approved
0.6944	Remote Similarity	NPD6648	Approved
0.6931	Remote Similarity	NPD6098	Approved
0.6917	Remote Similarity	NPD6370	Approved
0.6917	Remote Similarity	NPD5988	Approved
0.6916	Remote Similarity	NPD4755	Approved
0.6911	Remote Similarity	NPD7736	Approved
0.6893	Remote Similarity	NPD1695	Approved
0.6881	Remote Similarity	NPD5344	Discontinued
0.6857	Remote Similarity	NPD5778	Approved
0.6857	Remote Similarity	NPD5779	Approved
0.6842	Remote Similarity	NPD6371	Approved
0.6842	Remote Similarity	NPD4634	Approved
0.6838	Remote Similarity	NPD6274	Approved
0.6818	Remote Similarity	NPD5211	Phase 2
0.6792	Remote Similarity	NPD6001	Approved
0.6789	Remote Similarity	NPD4700	Approved
0.6789	Remote Similarity	NPD5286	Approved
0.6789	Remote Similarity	NPD4696	Approved
0.6789	Remote Similarity	NPD5285	Approved
0.678	Remote Similarity	NPD6317	Approved
0.6765	Remote Similarity	NPD3618	Phase 1
0.6762	Remote Similarity	NPD6411	Approved
0.6759	Remote Similarity	NPD5959	Approved
0.6748	Remote Similarity	NPD6336	Discontinued
0.6729	Remote Similarity	NPD1698	Clinical (unspecified phase)
0.6729	Remote Similarity	NPD5654	Approved
0.6727	Remote Similarity	NPD5223	Approved
0.6726	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6723	Remote Similarity	NPD6314	Approved
0.6723	Remote Similarity	NPD6313	Approved
0.6723	Remote Similarity	NPD6335	Approved
0.67	Remote Similarity	NPD5209	Approved
0.6698	Remote Similarity	NPD4202	Approved
0.6696	Remote Similarity	NPD5141	Approved
0.6667	Remote Similarity	NPD5225	Approved
0.6667	Remote Similarity	NPD4695	Discontinued
0.6667	Remote Similarity	NPD4633	Approved
0.6667	Remote Similarity	NPD4697	Phase 3
0.6667	Remote Similarity	NPD6686	Approved
0.6667	Remote Similarity	NPD5226	Approved
0.6667	Remote Similarity	NPD7632	Discontinued
0.6667	Remote Similarity	NPD5224	Approved
0.6667	Remote Similarity	NPD7100	Approved
0.6667	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5222	Approved
0.6667	Remote Similarity	NPD7101	Approved
0.6667	Remote Similarity	NPD1733	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5221	Approved
0.664	Remote Similarity	NPD6033	Approved
0.6639	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6635	Remote Similarity	NPD5208	Approved
0.6607	Remote Similarity	NPD5174	Approved
0.6607	Remote Similarity	NPD5175	Approved
0.6607	Remote Similarity	NPD4754	Approved
0.6606	Remote Similarity	NPD5173	Approved
0.6602	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD7319	Approved
0.6581	Remote Similarity	NPD6053	Discontinued
0.6571	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD6101	Approved
0.6571	Remote Similarity	NPD4753	Phase 2
0.6571	Remote Similarity	NPD5328	Approved
0.6571	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD3668	Phase 3
0.6557	Remote Similarity	NPD6908	Approved
0.6557	Remote Similarity	NPD6909	Approved
0.6555	Remote Similarity	NPD6868	Approved
0.6535	Remote Similarity	NPD3667	Approved
0.6509	Remote Similarity	NPD5785	Approved
0.6509	Remote Similarity	NPD5207	Approved
0.6495	Remote Similarity	NPD8039	Approved
0.6491	Remote Similarity	NPD4767	Approved
0.6491	Remote Similarity	NPD4768	Approved
0.648	Remote Similarity	NPD7507	Approved
0.6449	Remote Similarity	NPD6079	Approved
0.6449	Remote Similarity	NPD5284	Approved
0.6449	Remote Similarity	NPD5281	Approved
0.6442	Remote Similarity	NPD5279	Phase 3
0.6435	Remote Similarity	NPD6412	Phase 2
0.6423	Remote Similarity	NPD6921	Approved
0.6423	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6415	Remote Similarity	NPD6051	Approved
0.6413	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.6408	Remote Similarity	NPD4786	Approved
0.6408	Remote Similarity	NPD3133	Approved
0.6408	Remote Similarity	NPD3665	Phase 1
0.6408	Remote Similarity	NPD3666	Approved
0.6408	Remote Similarity	NPD4197	Approved
0.6379	Remote Similarity	NPD5128	Approved
0.6379	Remote Similarity	NPD4729	Approved
0.6379	Remote Similarity	NPD4730	Approved
0.6357	Remote Similarity	NPD7260	Phase 2
0.6355	Remote Similarity	NPD7838	Discovery
0.6346	Remote Similarity	NPD5329	Approved
0.6337	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.6325	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD6333	Approved
0.6316	Remote Similarity	NPD6334	Approved
0.6296	Remote Similarity	NPD8035	Phase 2
0.6296	Remote Similarity	NPD7637	Suspended
0.6296	Remote Similarity	NPD8034	Phase 2
0.6293	Remote Similarity	NPD6614	Approved
0.629	Remote Similarity	NPD8516	Approved
0.629	Remote Similarity	NPD8517	Approved
0.629	Remote Similarity	NPD8515	Approved
0.629	Remote Similarity	NPD8513	Phase 3
0.6286	Remote Similarity	NPD5690	Phase 2
0.6286	Remote Similarity	NPD4694	Approved
0.6286	Remote Similarity	NPD5280	Approved
0.6273	Remote Similarity	NPD4629	Approved
0.6273	Remote Similarity	NPD5210	Approved
0.6271	Remote Similarity	NPD5250	Approved
0.6271	Remote Similarity	NPD5169	Approved
0.6271	Remote Similarity	NPD5251	Approved
0.6271	Remote Similarity	NPD5134	Clinical (unspecified phase)

Structure

NPC264378 OpenBabel07101719132D 21 23 0 0 1 0 0 0 0 0999 V2000 -0.8660 2.5000 0.0000 C 0 0 0 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 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 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 2.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 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 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0622 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 O 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 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 6 0 0 0 11 18 2 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 13 20 1 1 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 5 1 6 0 0 0 17 9 1 6 0 0 0 17 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	60208854
ChEMBL	CHEMBL3581340
ZINC

Physicochemical Properties

Molecular Weight:	290.15
ALogP:	0.6146
MLogP:	2.89
XLogP:	0.761
# Rotatable Bonds:	7
Polar Surface Area:	55.9
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	21

Download Data

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