NPASS Natural Product

Natural Product: NPC474428

Natural Product ID:	NPC474428
Common Name:	Seco-Pseudopteroxazole
IUPAC Name:	(6R,9S)-4,9-dimethyl-6-[(2S)-6-methylhept-5-en-2-yl]-6,7,8,9-tetrahydrobenzo[g][1,3]benzoxazole
Synonyms:	Seco-Pseudopteroxazole
Molecular Formula:	C21H29NO
Standard InCHIKey:	HXPRVILAXUEVFC-YQQAZPJKSA-N
Standard InCHI:	InChI=1S/C21H29NO/c1-13(2)7-6-8-14(3)17-10-9-15(4)19-18(17)11-16(5)20-21(19)23-12-22-20/h7,11-12,14-15,17H,6,8-10H2,1-5H3/t14-,15-,17+/m0/s1
Canonical SMILES:	CC(=CCC[C@@H]([C@H]1CC[C@@H](c2c1cc(C)c1c2ocn1)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
NPO31261	Pseudopterogorgia elisabethae	Species	Gorgoniidae	Eukaryota				PMID[12828474]
NPO31261	Pseudopterogorgia elisabethae	Species	Gorgoniidae	Eukaryota		West Indian sea		PMID[11170678]

Biological Activity

Activity Type	# Activity
MIC	1
Others	2

Activity Type	# Activity
Organism	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	=	12.5	ug/ml	23398362
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	Inhibition	=	66	%	23398362
NPT88	Organism	Mycobacterium tuberculosis	Mycobacterium tuberculosis	Activity	=	66	%	17350734

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 NPC474428 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	465
0.1-0.2	2077
0.2-0.3	8608
0.3-0.4	4184
0.4-0.5	11790
0.5-0.6	3024
0.6-0.7	664
0.7-0.8	75
0.8-0.85	0
0.85-0.9	1
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9635	High Similarity	NPC324361
0.8894	High Similarity	NPC38237
0.7822	Intermediate Similarity	NPC72905
0.7814	Intermediate Similarity	NPC225279
0.7788	Intermediate Similarity	NPC142385
0.7661	Intermediate Similarity	NPC144452
0.766	Intermediate Similarity	NPC185197
0.7636	Intermediate Similarity	NPC470018
0.7627	Intermediate Similarity	NPC282346
0.7623	Intermediate Similarity	NPC49547
0.7606	Intermediate Similarity	NPC187501
0.7602	Intermediate Similarity	NPC74575
0.7586	Intermediate Similarity	NPC137353
0.758	Intermediate Similarity	NPC216612
0.75	Intermediate Similarity	NPC470042
0.7489	Intermediate Similarity	NPC274640
0.7454	Intermediate Similarity	NPC39500
0.7448	Intermediate Similarity	NPC230683
0.7422	Intermediate Similarity	NPC474688
0.7395	Intermediate Similarity	NPC470020
0.7389	Intermediate Similarity	NPC473186
0.7387	Intermediate Similarity	NPC322482
0.7368	Intermediate Similarity	NPC470017
0.7364	Intermediate Similarity	NPC288987
0.7364	Intermediate Similarity	NPC208084
0.7357	Intermediate Similarity	NPC329631
0.7342	Intermediate Similarity	NPC210434
0.7336	Intermediate Similarity	NPC470022
0.7327	Intermediate Similarity	NPC473180
0.7325	Intermediate Similarity	NPC39370
0.7318	Intermediate Similarity	NPC184408
0.7313	Intermediate Similarity	NPC196718
0.7313	Intermediate Similarity	NPC102593
0.7309	Intermediate Similarity	NPC314633
0.7296	Intermediate Similarity	NPC208522
0.7277	Intermediate Similarity	NPC270515
0.7277	Intermediate Similarity	NPC474798
0.7265	Intermediate Similarity	NPC72715
0.7241	Intermediate Similarity	NPC148889
0.724	Intermediate Similarity	NPC131885
0.7233	Intermediate Similarity	NPC242928
0.7232	Intermediate Similarity	NPC51388
0.7225	Intermediate Similarity	NPC278525
0.7225	Intermediate Similarity	NPC24019
0.722	Intermediate Similarity	NPC280799
0.7205	Intermediate Similarity	NPC22481
0.7195	Intermediate Similarity	NPC293151
0.7177	Intermediate Similarity	NPC230403
0.7167	Intermediate Similarity	NPC475844
0.7143	Intermediate Similarity	NPC108342
0.713	Intermediate Similarity	NPC45190
0.7124	Intermediate Similarity	NPC179287
0.7123	Intermediate Similarity	NPC146418
0.7116	Intermediate Similarity	NPC475774
0.7112	Intermediate Similarity	NPC182907
0.7112	Intermediate Similarity	NPC189903
0.711	Intermediate Similarity	NPC473181
0.7095	Intermediate Similarity	NPC475190
0.709	Intermediate Similarity	NPC209981
0.7089	Intermediate Similarity	NPC161801
0.7087	Intermediate Similarity	NPC233334
0.7083	Intermediate Similarity	NPC470930
0.7082	Intermediate Similarity	NPC166722
0.708	Intermediate Similarity	NPC94842
0.7079	Intermediate Similarity	NPC286195
0.7078	Intermediate Similarity	NPC199667
0.7059	Intermediate Similarity	NPC236668
0.7059	Intermediate Similarity	NPC232225
0.7051	Intermediate Similarity	NPC300156
0.7045	Intermediate Similarity	NPC208284
0.7039	Intermediate Similarity	NPC240384
0.7039	Intermediate Similarity	NPC472061
0.7027	Intermediate Similarity	NPC146976
0.7027	Intermediate Similarity	NPC118228
0.7026	Intermediate Similarity	NPC90875
0.702	Intermediate Similarity	NPC118511
0.7004	Intermediate Similarity	NPC205372
0.6992	Remote Similarity	NPC132385
0.6987	Remote Similarity	NPC140296
0.697	Remote Similarity	NPC474701
0.6968	Remote Similarity	NPC220337
0.6968	Remote Similarity	NPC9894
0.6955	Remote Similarity	NPC53534
0.6949	Remote Similarity	NPC210296
0.6941	Remote Similarity	NPC283117
0.6941	Remote Similarity	NPC249583
0.6937	Remote Similarity	NPC308137
0.6937	Remote Similarity	NPC94157
0.6937	Remote Similarity	NPC310211
0.6933	Remote Similarity	NPC124313
0.6933	Remote Similarity	NPC46561
0.693	Remote Similarity	NPC128823
0.692	Remote Similarity	NPC84164
0.692	Remote Similarity	NPC207283
0.6895	Remote Similarity	NPC304183
0.6881	Remote Similarity	NPC245816
0.6881	Remote Similarity	NPC476138
0.688	Remote Similarity	NPC253675
0.6872	Remote Similarity	NPC150239
0.687	Remote Similarity	NPC202503
0.6864	Remote Similarity	NPC193238
0.6864	Remote Similarity	NPC4687
0.6864	Remote Similarity	NPC321428
0.686	Remote Similarity	NPC473188
0.6847	Remote Similarity	NPC471304
0.6842	Remote Similarity	NPC198503
0.684	Remote Similarity	NPC478078
0.684	Remote Similarity	NPC257851
0.6833	Remote Similarity	NPC470280
0.6833	Remote Similarity	NPC287208
0.6824	Remote Similarity	NPC260434
0.6822	Remote Similarity	NPC477587
0.6822	Remote Similarity	NPC477589
0.6822	Remote Similarity	NPC6786
0.682	Remote Similarity	NPC15406
0.6816	Remote Similarity	NPC294375
0.6814	Remote Similarity	NPC169402
0.681	Remote Similarity	NPC194740
0.6802	Remote Similarity	NPC209769
0.68	Remote Similarity	NPC235076
0.68	Remote Similarity	NPC116238
0.6798	Remote Similarity	NPC323969
0.6791	Remote Similarity	NPC470023
0.679	Remote Similarity	NPC183537
0.6787	Remote Similarity	NPC152620
0.6786	Remote Similarity	NPC26679
0.6784	Remote Similarity	NPC100079
0.6784	Remote Similarity	NPC247803
0.6784	Remote Similarity	NPC174576
0.6784	Remote Similarity	NPC23614
0.6783	Remote Similarity	NPC122436
0.6771	Remote Similarity	NPC188420
0.6765	Remote Similarity	NPC477585
0.6765	Remote Similarity	NPC477590
0.6765	Remote Similarity	NPC477586
0.6765	Remote Similarity	NPC477588
0.6759	Remote Similarity	NPC470021
0.6756	Remote Similarity	NPC149471
0.6756	Remote Similarity	NPC271215
0.6751	Remote Similarity	NPC15801
0.6741	Remote Similarity	NPC87413
0.674	Remote Similarity	NPC314552
0.6737	Remote Similarity	NPC34770
0.6726	Remote Similarity	NPC185782
0.6726	Remote Similarity	NPC16066
0.6725	Remote Similarity	NPC132642
0.6721	Remote Similarity	NPC77878
0.6712	Remote Similarity	NPC193777
0.6708	Remote Similarity	NPC166712
0.6707	Remote Similarity	NPC478045
0.6697	Remote Similarity	NPC220408
0.6696	Remote Similarity	NPC269367
0.6695	Remote Similarity	NPC473185
0.6695	Remote Similarity	NPC141053
0.6695	Remote Similarity	NPC41501
0.6682	Remote Similarity	NPC267928
0.6682	Remote Similarity	NPC295898
0.6681	Remote Similarity	NPC476287
0.6681	Remote Similarity	NPC46451
0.6681	Remote Similarity	NPC473179
0.668	Remote Similarity	NPC314222
0.668	Remote Similarity	NPC478083
0.668	Remote Similarity	NPC26543
0.668	Remote Similarity	NPC196449
0.668	Remote Similarity	NPC203373
0.6667	Remote Similarity	NPC11017
0.6667	Remote Similarity	NPC244543
0.6653	Remote Similarity	NPC101350
0.6653	Remote Similarity	NPC67401
0.6652	Remote Similarity	NPC54066
0.6652	Remote Similarity	NPC174760
0.6652	Remote Similarity	NPC200888
0.6651	Remote Similarity	NPC469961
0.6638	Remote Similarity	NPC96321
0.6637	Remote Similarity	NPC264176
0.6637	Remote Similarity	NPC251160
0.6636	Remote Similarity	NPC144381
0.6636	Remote Similarity	NPC76748
0.6636	Remote Similarity	NPC267423
0.6626	Remote Similarity	NPC58209
0.6624	Remote Similarity	NPC473182
0.6623	Remote Similarity	NPC36405
0.6611	Remote Similarity	NPC235685
0.661	Remote Similarity	NPC477112
0.661	Remote Similarity	NPC475253
0.6609	Remote Similarity	NPC269270
0.6609	Remote Similarity	NPC17565
0.6609	Remote Similarity	NPC245756
0.6608	Remote Similarity	NPC478074
0.6607	Remote Similarity	NPC266249
0.6607	Remote Similarity	NPC82548
0.6605	Remote Similarity	NPC92111
0.6603	Remote Similarity	NPC472168
0.6597	Remote Similarity	NPC182222
0.6596	Remote Similarity	NPC246381
0.6595	Remote Similarity	NPC118121
0.6592	Remote Similarity	NPC472286
0.6592	Remote Similarity	NPC472287
0.6591	Remote Similarity	NPC19872
0.659	Remote Similarity	NPC131017

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474428 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	307
0.1-0.2	753
0.2-0.3	910
0.3-0.4	1287
0.4-0.5	3220
0.5-0.6	2212
0.6-0.7	438
0.7-0.8	34
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
0.7634	Intermediate Similarity	NPD2951	Discontinued
0.7617	Intermediate Similarity	NPD3945	Discontinued
0.7585	Intermediate Similarity	NPD2778	Approved
0.7559	Intermediate Similarity	NPD3392	Approved
0.7511	Intermediate Similarity	NPD6247	Clinical (unspecified phase)
0.7476	Intermediate Similarity	NPD2779	Approved
0.7409	Intermediate Similarity	NPD5850	Phase 3
0.7397	Intermediate Similarity	NPD4429	Discontinued
0.7368	Intermediate Similarity	NPD3250	Phase 1
0.7357	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD4667	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD1166	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD2433	Clinical (unspecified phase)
0.7269	Intermediate Similarity	NPD1867	Approved
0.7235	Intermediate Similarity	NPD2081	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD5429	Discontinued
0.7167	Intermediate Similarity	NPD6790	Phase 1
0.7137	Intermediate Similarity	NPD7268	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD1505	Phase 2
0.7117	Intermediate Similarity	NPD5443	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD2285	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD3809	Discontinued
0.7085	Intermediate Similarity	NPD7395	Discontinued
0.7085	Intermediate Similarity	NPD6568	Discontinued
0.7074	Intermediate Similarity	NPD5022	Discontinued
0.7069	Intermediate Similarity	NPD3006	Discontinued
0.7064	Intermediate Similarity	NPD7467	Discontinued
0.7056	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD6974	Phase 3
0.7022	Intermediate Similarity	NPD6242	Discontinued
0.7022	Intermediate Similarity	NPD7180	Phase 3
0.7004	Intermediate Similarity	NPD7547	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD5479	Discontinued
0.6996	Remote Similarity	NPD7853	Phase 2
0.6963	Remote Similarity	NPD772	Phase 3
0.6942	Remote Similarity	NPD5532	Phase 2
0.6942	Remote Similarity	NPD6252	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD5866	Approved
0.6936	Remote Similarity	NPD4394	Clinical (unspecified phase)
0.6926	Remote Similarity	NPD5924	Discontinued
0.691	Remote Similarity	NPD4460	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD1466	Phase 3
0.6897	Remote Similarity	NPD1467	Approved
0.6883	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6869	Remote Similarity	NPD5512	Phase 3
0.6866	Remote Similarity	NPD6321	Discontinued
0.6862	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD7069	Discontinued
0.6849	Remote Similarity	NPD7022	Phase 2
0.6833	Remote Similarity	NPD6376	Discontinued
0.6824	Remote Similarity	NPD7688	Phase 1
0.6822	Remote Similarity	NPD4368	Phase 2
0.6816	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.6781	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.6773	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD3259	Approved
0.6766	Remote Similarity	NPD6223	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.6749	Remote Similarity	NPD5482	Discontinued
0.6742	Remote Similarity	NPD7010	Phase 3
0.6742	Remote Similarity	NPD6245	Phase 2
0.674	Remote Similarity	NPD5164	Discontinued
0.6736	Remote Similarity	NPD7417	Discontinued
0.6726	Remote Similarity	NPD1638	Discovery
0.6726	Remote Similarity	NPD5293	Phase 2
0.6726	Remote Similarity	NPD3257	Approved
0.6724	Remote Similarity	NPD3263	Phase 3
0.6723	Remote Similarity	NPD3746	Discontinued
0.6713	Remote Similarity	NPD3478	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD3477	Phase 2
0.6711	Remote Similarity	NPD5632	Approved
0.6709	Remote Similarity	NPD4898	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD6716	Phase 1
0.6697	Remote Similarity	NPD4548	Discontinued
0.6696	Remote Similarity	NPD4881	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD4923	Phase 1
0.6695	Remote Similarity	NPD7994	Phase 2
0.6694	Remote Similarity	NPD5488	Discontinued
0.6694	Remote Similarity	NPD5817	Discontinued
0.6694	Remote Similarity	NPD3801	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD3925	Approved
0.6681	Remote Similarity	NPD3763	Approved
0.6681	Remote Similarity	NPD3258	Approved
0.6681	Remote Similarity	NPD7203	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6995	Phase 1
0.6667	Remote Similarity	NPD3507	Phase 2
0.6652	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6652	Remote Similarity	NPD5513	Phase 2
0.6651	Remote Similarity	NPD9243	Approved
0.6641	Remote Similarity	NPD1955	Discontinued
0.664	Remote Similarity	NPD7393	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD3354	Phase 2
0.6638	Remote Similarity	NPD4952	Phase 3
0.6626	Remote Similarity	NPD5857	Phase 3
0.662	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD3264	Phase 3
0.6611	Remote Similarity	NPD4958	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD6593	Clinical (unspecified phase)
0.6602	Remote Similarity	NPD5499	Approved
0.6595	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6594	Remote Similarity	NPD3326	Clinical (unspecified phase)
0.659	Remote Similarity	NPD4418	Discontinued
0.6587	Remote Similarity	NPD5603	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD9705	Discontinued
0.6584	Remote Similarity	NPD112	Approved
0.6569	Remote Similarity	NPD5891	Approved
0.6568	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6567	Remote Similarity	NPD7278	Phase 2
0.6567	Remote Similarity	NPD7279	Phase 2
0.6557	Remote Similarity	NPD5083	Clinical (unspecified phase)
0.6556	Remote Similarity	NPD8016	Phase 3
0.6556	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6555	Remote Similarity	NPD4373	Phase 2
0.6545	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.6545	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6544	Remote Similarity	NPD1038	Approved
0.6537	Remote Similarity	NPD7053	Clinical (unspecified phase)
0.6537	Remote Similarity	NPD2785	Clinical (unspecified phase)
0.6534	Remote Similarity	NPD5867	Clinical (unspecified phase)
0.6525	Remote Similarity	NPD7555	Discontinued
0.6522	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD1078	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD6456	Discontinued
0.652	Remote Similarity	NPD4502	Phase 2
0.652	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.652	Remote Similarity	NPD5475	Discontinued
0.6511	Remote Similarity	NPD7426	Phase 1
0.6511	Remote Similarity	NPD7603	Discontinued
0.651	Remote Similarity	NPD7924	Phase 2
0.651	Remote Similarity	NPD7925	Phase 2
0.6509	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD7678	Clinical (unspecified phase)
0.6502	Remote Similarity	NPD2920	Discontinued
0.6498	Remote Similarity	NPD4372	Phase 1
0.6498	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6493	Remote Similarity	NPD6293	Clinical (unspecified phase)
0.649	Remote Similarity	NPD8100	Phase 3
0.6483	Remote Similarity	NPD4328	Approved
0.6479	Remote Similarity	NPD3607	Clinical (unspecified phase)
0.6478	Remote Similarity	NPD6475	Phase 2
0.6475	Remote Similarity	NPD6495	Clinical (unspecified phase)
0.6473	Remote Similarity	NPD3947	Discontinued
0.6473	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD3825	Phase 3
0.6468	Remote Similarity	NPD6531	Approved
0.6468	Remote Similarity	NPD6530	Approved
0.6466	Remote Similarity	NPD3514	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD5559	Phase 2
0.6453	Remote Similarity	NPD1856	Discontinued
0.6449	Remote Similarity	NPD4889	Approved
0.6449	Remote Similarity	NPD7206	Clinical (unspecified phase)
0.6447	Remote Similarity	NPD5416	Discontinued
0.6444	Remote Similarity	NPD5601	Phase 2
0.6444	Remote Similarity	NPD5530	Phase 1
0.6437	Remote Similarity	NPD4558	Phase 2
0.6435	Remote Similarity	NPD2792	Approved
0.6432	Remote Similarity	NPD4454	Phase 2
0.6431	Remote Similarity	NPD5450	Discontinued
0.6429	Remote Similarity	NPD1659	Phase 1
0.6429	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD7597	Clinical (unspecified phase)
0.6422	Remote Similarity	NPD3922	Approved
0.6422	Remote Similarity	NPD3921	Approved
0.6422	Remote Similarity	NPD3923	Approved
0.6422	Remote Similarity	NPD3924	Approved
0.6419	Remote Similarity	NPD5256	Discontinued
0.6416	Remote Similarity	NPD7222	Phase 2
0.6416	Remote Similarity	NPD7452	Approved
0.6416	Remote Similarity	NPD7453	Approved
0.6411	Remote Similarity	NPD8101	Phase 3
0.6409	Remote Similarity	NPD6550	Discontinued
0.6407	Remote Similarity	NPD6643	Discontinued
0.6406	Remote Similarity	NPD2564	Approved
0.6406	Remote Similarity	NPD6281	Approved
0.6406	Remote Similarity	NPD2565	Phase 2
0.64	Remote Similarity	NPD4122	Approved
0.64	Remote Similarity	NPD4037	Approved
0.64	Remote Similarity	NPD4038	Approved
0.64	Remote Similarity	NPD4033	Approved
0.64	Remote Similarity	NPD32	Approved
0.64	Remote Similarity	NPD4034	Approved
0.64	Remote Similarity	NPD31	Approved
0.64	Remote Similarity	NPD4035	Approved
0.64	Remote Similarity	NPD4039	Approved
0.64	Remote Similarity	NPD4036	Approved
0.6397	Remote Similarity	NPD8358	Approved
0.6384	Remote Similarity	NPD6975	Discontinued
0.6379	Remote Similarity	NPD4989	Phase 2
0.6376	Remote Similarity	NPD5067	Phase 2
0.6376	Remote Similarity	NPD7470	Discontinued
0.6376	Remote Similarity	NPD5936	Approved
0.6376	Remote Similarity	NPD5066	Phase 2
0.6376	Remote Similarity	NPD5939	Approved
0.6375	Remote Similarity	NPD7031	Phase 1
0.6372	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6371	Remote Similarity	NPD5922	Phase 3
0.6368	Remote Similarity	NPD8479	Phase 2

Structure

NPC474428 OpenBabel07101718302D 23 25 0 0 1 0 0 0 0 0999 V2000 7.0132 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 4.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 0.3090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8171 -1.1910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 -0.1910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6180 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 1 13 1 0 0 0 0 2 13 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 17 1 0 0 0 0 11 16 2 0 0 0 0 11 18 1 0 0 0 0 12 22 2 0 0 0 0 12 23 1 0 0 0 0 14 3 1 6 0 0 0 15 4 1 6 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 14 1 1 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	470319
ChEMBL	CHEMBL468238
ZINC

Physicochemical Properties

Molecular Weight:	311.22
ALogP:	3.299
MLogP:	3.55
XLogP:	7.254
# Rotatable Bonds:	9
Polar Surface Area:	26.03
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	23

Download Data

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