NPASS Natural Product

Natural Product: NPC164374

Natural Product ID:	NPC164374
Common Name:	6-O-Demethylancistrobenomine A
IUPAC Name:
Synonyms:
Molecular Formula:	C24H23NO5
Standard InCHIKey:	OROUNLQXXAREPA-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C24H23NO5/c1-12-8-17(27)23-15(6-5-7-19(23)29-3)21(12)24-16-9-14(11-26)25-13(2)22(16)20(30-4)10-18(24)28/h5-10,26-28H,11H2,1-4H3
Canonical SMILES:	OCc1nc(C)c2c(c1)c(c(cc2OC)O)c1c(C)cc(c2c1cccc2OC)O
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
NPO32919	ancistrocladus benomensis	Species	Ancistrocladaceae	Eukaryota				PMID[15620251]

Biological Activity

Activity Type	# Activity
IC50	5

Activity Type	# Activity
Cell Line	1
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	IC50	=	23.4	ug/ml	25305332
NPT485	Organism	Plasmodium falciparum (isolate K1 / Thailand)	Plasmodium falciparum K1	IC50	=	2.18	ug/ml	25305332
NPT839	Cell Line	L6	Rattus norvegicus	IC50	=	59.9	ug/ml	25305332
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC50	>	30	ug/ml	25305332
NPT844	Organism	Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	=	14.7	ug/ml	25305332

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 NPC164374 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	355
0.1-0.2	1536
0.2-0.3	6269
0.3-0.4	6359
0.4-0.5	4964
0.5-0.6	9334
0.6-0.7	1800
0.7-0.8	249
0.8-0.85	15
0.85-0.9	4
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC137929
0.9392	High Similarity	NPC141915
0.9392	High Similarity	NPC114335
0.9392	High Similarity	NPC280964
0.8817	High Similarity	NPC469390
0.8802	High Similarity	NPC469440
0.8703	High Similarity	NPC61350
0.8586	High Similarity	NPC224928
0.8406	Intermediate Similarity	NPC200888
0.835	Intermediate Similarity	NPC122463
0.8241	Intermediate Similarity	NPC304183
0.8201	Intermediate Similarity	NPC62069
0.8169	Intermediate Similarity	NPC255800
0.8169	Intermediate Similarity	NPC96584
0.8164	Intermediate Similarity	NPC174049
0.8155	Intermediate Similarity	NPC473822
0.8152	Intermediate Similarity	NPC476997
0.8137	Intermediate Similarity	NPC474594
0.8113	Intermediate Similarity	NPC476998
0.8113	Intermediate Similarity	NPC476996
0.8077	Intermediate Similarity	NPC469439
0.8075	Intermediate Similarity	NPC201508
0.8066	Intermediate Similarity	NPC476994
0.798	Intermediate Similarity	NPC470931
0.7943	Intermediate Similarity	NPC148409
0.791	Intermediate Similarity	NPC66815
0.7879	Intermediate Similarity	NPC473053
0.7876	Intermediate Similarity	NPC42591
0.7843	Intermediate Similarity	NPC474595
0.7842	Intermediate Similarity	NPC283152
0.7826	Intermediate Similarity	NPC202605
0.7826	Intermediate Similarity	NPC112206
0.7822	Intermediate Similarity	NPC302807
0.7808	Intermediate Similarity	NPC476995
0.7773	Intermediate Similarity	NPC473179
0.7756	Intermediate Similarity	NPC193777
0.775	Intermediate Similarity	NPC243834
0.775	Intermediate Similarity	NPC70956
0.7742	Intermediate Similarity	NPC205255
0.7742	Intermediate Similarity	NPC230956
0.7742	Intermediate Similarity	NPC271388
0.7742	Intermediate Similarity	NPC119649
0.7742	Intermediate Similarity	NPC235143
0.7732	Intermediate Similarity	NPC320394
0.7721	Intermediate Similarity	NPC202503
0.7704	Intermediate Similarity	NPC66083
0.7701	Intermediate Similarity	NPC80759
0.7701	Intermediate Similarity	NPC79402
0.7688	Intermediate Similarity	NPC221864
0.7688	Intermediate Similarity	NPC279401
0.7688	Intermediate Similarity	NPC79293
0.7679	Intermediate Similarity	NPC284141
0.7664	Intermediate Similarity	NPC118121
0.7661	Intermediate Similarity	NPC476999
0.7659	Intermediate Similarity	NPC16452
0.7659	Intermediate Similarity	NPC36229
0.7659	Intermediate Similarity	NPC476581
0.7638	Intermediate Similarity	NPC195268
0.7638	Intermediate Similarity	NPC133140
0.7635	Intermediate Similarity	NPC11017
0.7634	Intermediate Similarity	NPC15406
0.7613	Intermediate Similarity	NPC11408
0.7604	Intermediate Similarity	NPC288943
0.76	Intermediate Similarity	NPC476565
0.7594	Intermediate Similarity	NPC314552
0.7593	Intermediate Similarity	NPC473449
0.7579	Intermediate Similarity	NPC223077
0.7579	Intermediate Similarity	NPC56887
0.7579	Intermediate Similarity	NPC193853
0.7577	Intermediate Similarity	NPC478032
0.7571	Intermediate Similarity	NPC203168
0.7571	Intermediate Similarity	NPC48353
0.7561	Intermediate Similarity	NPC475112
0.7561	Intermediate Similarity	NPC475085
0.7561	Intermediate Similarity	NPC291535
0.7552	Intermediate Similarity	NPC312872
0.755	Intermediate Similarity	NPC223236
0.755	Intermediate Similarity	NPC259350
0.7545	Intermediate Similarity	NPC217554
0.754	Intermediate Similarity	NPC206736
0.754	Intermediate Similarity	NPC195766
0.7536	Intermediate Similarity	NPC476106
0.7527	Intermediate Similarity	NPC26850
0.7526	Intermediate Similarity	NPC209377
0.7524	Intermediate Similarity	NPC223427
0.7523	Intermediate Similarity	NPC473185
0.7512	Intermediate Similarity	NPC209769
0.7512	Intermediate Similarity	NPC31930
0.7512	Intermediate Similarity	NPC289786
0.7512	Intermediate Similarity	NPC267423
0.7511	Intermediate Similarity	NPC67401
0.7511	Intermediate Similarity	NPC473182
0.75	Intermediate Similarity	NPC128823
0.75	Intermediate Similarity	NPC235076
0.7489	Intermediate Similarity	NPC252251
0.7488	Intermediate Similarity	NPC473180
0.7488	Intermediate Similarity	NPC251160
0.7487	Intermediate Similarity	NPC195392
0.7477	Intermediate Similarity	NPC90875
0.7477	Intermediate Similarity	NPC204446
0.7477	Intermediate Similarity	NPC100079
0.7477	Intermediate Similarity	NPC23614
0.7476	Intermediate Similarity	NPC219664
0.7466	Intermediate Similarity	NPC233334
0.7455	Intermediate Similarity	NPC469792
0.7452	Intermediate Similarity	NPC472111
0.7437	Intermediate Similarity	NPC219170
0.7437	Intermediate Similarity	NPC180253
0.7435	Intermediate Similarity	NPC183537
0.7433	Intermediate Similarity	NPC123323
0.7423	Intermediate Similarity	NPC194724
0.7421	Intermediate Similarity	NPC477531
0.7415	Intermediate Similarity	NPC476582
0.7415	Intermediate Similarity	NPC4071
0.7415	Intermediate Similarity	NPC476578
0.7406	Intermediate Similarity	NPC296482
0.7406	Intermediate Similarity	NPC202768
0.7406	Intermediate Similarity	NPC53069
0.7405	Intermediate Similarity	NPC153769
0.7404	Intermediate Similarity	NPC329708
0.7404	Intermediate Similarity	NPC118832
0.7404	Intermediate Similarity	NPC47059
0.7404	Intermediate Similarity	NPC165349
0.7404	Intermediate Similarity	NPC264166
0.7404	Intermediate Similarity	NPC274291
0.7393	Intermediate Similarity	NPC199667
0.7389	Intermediate Similarity	NPC131017
0.7387	Intermediate Similarity	NPC204385
0.7376	Intermediate Similarity	NPC209174
0.7373	Intermediate Similarity	NPC477532
0.7366	Intermediate Similarity	NPC26872
0.7366	Intermediate Similarity	NPC72211
0.7361	Intermediate Similarity	NPC46451
0.7359	Intermediate Similarity	NPC77878
0.7356	Intermediate Similarity	NPC162484
0.7346	Intermediate Similarity	NPC469589
0.7346	Intermediate Similarity	NPC201697
0.7346	Intermediate Similarity	NPC473181
0.7342	Intermediate Similarity	NPC289905
0.7342	Intermediate Similarity	NPC316065
0.7337	Intermediate Similarity	NPC276060
0.7327	Intermediate Similarity	NPC132642
0.7321	Intermediate Similarity	NPC470930
0.7317	Intermediate Similarity	NPC153042
0.7317	Intermediate Similarity	NPC234318
0.7316	Intermediate Similarity	NPC7393
0.7315	Intermediate Similarity	NPC469594
0.7313	Intermediate Similarity	NPC128751
0.7313	Intermediate Similarity	NPC22928
0.7313	Intermediate Similarity	NPC320088
0.7312	Intermediate Similarity	NPC265473
0.7312	Intermediate Similarity	NPC276665
0.7311	Intermediate Similarity	NPC470020
0.7311	Intermediate Similarity	NPC188420
0.7311	Intermediate Similarity	NPC290689
0.7308	Intermediate Similarity	NPC472589
0.7297	Intermediate Similarity	NPC24019
0.729	Intermediate Similarity	NPC149471
0.729	Intermediate Similarity	NPC271215
0.7283	Intermediate Similarity	NPC161292
0.7277	Intermediate Similarity	NPC220337
0.7277	Intermediate Similarity	NPC118511
0.7277	Intermediate Similarity	NPC106833
0.7277	Intermediate Similarity	NPC469497
0.7268	Intermediate Similarity	NPC471598
0.7268	Intermediate Similarity	NPC70259
0.7263	Intermediate Similarity	NPC79328
0.7257	Intermediate Similarity	NPC473183
0.7255	Intermediate Similarity	NPC78284
0.725	Intermediate Similarity	NPC94943
0.7244	Intermediate Similarity	NPC473184
0.7243	Intermediate Similarity	NPC171409
0.7243	Intermediate Similarity	NPC96405
0.7237	Intermediate Similarity	NPC210296
0.7225	Intermediate Similarity	NPC177404
0.7225	Intermediate Similarity	NPC199277
0.7225	Intermediate Similarity	NPC135887
0.7222	Intermediate Similarity	NPC472588
0.722	Intermediate Similarity	NPC43787
0.722	Intermediate Similarity	NPC205934
0.7217	Intermediate Similarity	NPC124313
0.7217	Intermediate Similarity	NPC475910
0.7214	Intermediate Similarity	NPC276674
0.7214	Intermediate Similarity	NPC33902
0.7212	Intermediate Similarity	NPC477019
0.7209	Intermediate Similarity	NPC469592
0.7209	Intermediate Similarity	NPC471080
0.7205	Intermediate Similarity	NPC207283
0.7205	Intermediate Similarity	NPC84164
0.72	Intermediate Similarity	NPC190007
0.72	Intermediate Similarity	NPC257269
0.719	Intermediate Similarity	NPC317572
0.7186	Intermediate Similarity	NPC206201
0.7186	Intermediate Similarity	NPC190461
0.7173	Intermediate Similarity	NPC129897
0.7172	Intermediate Similarity	NPC472168
0.717	Intermediate Similarity	NPC313189
0.7168	Intermediate Similarity	NPC277351
0.7157	Intermediate Similarity	NPC168153
0.715	Intermediate Similarity	NPC192939

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC164374 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	249
0.1-0.2	683
0.2-0.3	956
0.3-0.4	1367
0.4-0.5	2480
0.5-0.6	2539
0.6-0.7	774
0.7-0.8	112
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.802	Intermediate Similarity	NPD5429	Discontinued
0.7989	Intermediate Similarity	NPD3920	Phase 2
0.7957	Intermediate Similarity	NPD4724	Clinical (unspecified phase)
0.7917	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7882	Intermediate Similarity	NPD4305	Clinical (unspecified phase)
0.7864	Intermediate Similarity	NPD4502	Phase 2
0.7843	Intermediate Similarity	NPD7222	Phase 2
0.7725	Intermediate Similarity	NPD7395	Discontinued
0.772	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD5530	Phase 1
0.7688	Intermediate Similarity	NPD6361	Phase 2
0.7671	Intermediate Similarity	NPD6494	Phase 2
0.7656	Intermediate Similarity	NPD7069	Discontinued
0.7638	Intermediate Similarity	NPD3922	Approved
0.7638	Intermediate Similarity	NPD3923	Approved
0.7638	Intermediate Similarity	NPD3924	Approved
0.7638	Intermediate Similarity	NPD3921	Approved
0.7612	Intermediate Similarity	NPD6550	Discontinued
0.7594	Intermediate Similarity	NPD5164	Discontinued
0.7585	Intermediate Similarity	NPD7452	Approved
0.7585	Intermediate Similarity	NPD7453	Approved
0.7562	Intermediate Similarity	NPD6590	Discontinued
0.7562	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD6569	Phase 2
0.7545	Intermediate Similarity	NPD7417	Discontinued
0.7538	Intermediate Similarity	NPD3386	Phase 2
0.7524	Intermediate Similarity	NPD5939	Approved
0.7524	Intermediate Similarity	NPD5936	Approved
0.7475	Intermediate Similarity	NPD4375	Approved
0.7474	Intermediate Similarity	NPD6159	Phase 2
0.7413	Intermediate Similarity	NPD6656	Clinical (unspecified phase)
0.7406	Intermediate Similarity	NPD3816	Phase 1
0.7406	Intermediate Similarity	NPD3815	Phase 1
0.7404	Intermediate Similarity	NPD32	Approved
0.7404	Intermediate Similarity	NPD4038	Approved
0.7404	Intermediate Similarity	NPD4037	Approved
0.7404	Intermediate Similarity	NPD4034	Approved
0.7404	Intermediate Similarity	NPD4035	Approved
0.7404	Intermediate Similarity	NPD31	Approved
0.7404	Intermediate Similarity	NPD4036	Approved
0.7404	Intermediate Similarity	NPD4033	Approved
0.7404	Intermediate Similarity	NPD4039	Approved
0.7404	Intermediate Similarity	NPD4122	Approved
0.7402	Intermediate Similarity	NPD6988	Phase 1
0.7395	Intermediate Similarity	NPD8109	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.7366	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.7361	Intermediate Similarity	NPD3763	Approved
0.7359	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7354	Intermediate Similarity	NPD7558	Phase 2
0.7353	Intermediate Similarity	NPD5512	Phase 3
0.7347	Intermediate Similarity	NPD1620	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD6290	Phase 2
0.733	Intermediate Similarity	NPD2177	Approved
0.733	Intermediate Similarity	NPD2176	Approved
0.733	Intermediate Similarity	NPD2175	Phase 3
0.732	Intermediate Similarity	NPD6607	Clinical (unspecified phase)
0.7316	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD7672	Approved
0.7299	Intermediate Similarity	NPD7671	Approved
0.7296	Intermediate Similarity	NPD5751	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD5488	Discontinued
0.7255	Intermediate Similarity	NPD4551	Phase 2
0.7246	Intermediate Similarity	NPD3837	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7236	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD8244	Phase 2
0.7225	Intermediate Similarity	NPD6208	Discontinued
0.7214	Intermediate Similarity	NPD5256	Discontinued
0.7207	Intermediate Similarity	NPD6326	Phase 2
0.7207	Intermediate Similarity	NPD6327	Phase 1
0.7204	Intermediate Similarity	NPD3842	Clinical (unspecified phase)
0.7196	Intermediate Similarity	NPD6220	Phase 3
0.7186	Intermediate Similarity	NPD4203	Approved
0.7186	Intermediate Similarity	NPD4204	Approved
0.7183	Intermediate Similarity	NPD4437	Phase 3
0.7182	Intermediate Similarity	NPD6736	Discontinued
0.7176	Intermediate Similarity	NPD5902	Approved
0.7176	Intermediate Similarity	NPD5903	Approved
0.7176	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7175	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD8453	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7418	Discontinued
0.7143	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.713	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD6150	Discontinued
0.7123	Intermediate Similarity	NPD3003	Approved
0.7115	Intermediate Similarity	NPD2727	Phase 2
0.7109	Intermediate Similarity	NPD6991	Approved
0.7085	Intermediate Similarity	NPD7674	Phase 3
0.7085	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7085	Intermediate Similarity	NPD7675	Phase 3
0.7085	Intermediate Similarity	NPD7479	Phase 2
0.7083	Intermediate Similarity	NPD4927	Discontinued
0.7079	Intermediate Similarity	NPD4889	Approved
0.7077	Intermediate Similarity	NPD6872	Clinical (unspecified phase)
0.7062	Intermediate Similarity	NPD6975	Discontinued
0.7059	Intermediate Similarity	NPD7169	Suspended
0.7056	Intermediate Similarity	NPD5658	Approved
0.7054	Intermediate Similarity	NPD6553	Clinical (unspecified phase)
0.7053	Intermediate Similarity	NPD4418	Discontinued
0.7053	Intermediate Similarity	NPD3810	Clinical (unspecified phase)
0.7045	Intermediate Similarity	NPD7194	Discontinued
0.7045	Intermediate Similarity	NPD3875	Discontinued
0.7044	Intermediate Similarity	NPD2917	Approved
0.7041	Intermediate Similarity	NPD7474	Suspended
0.7037	Intermediate Similarity	NPD7703	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD3525	Discontinued
0.7022	Intermediate Similarity	NPD7555	Discontinued
0.7014	Intermediate Similarity	NPD7678	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD3263	Phase 3
0.7	Intermediate Similarity	NPD4052	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD1503	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD6344	Clinical (unspecified phase)
0.6991	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD5612	Discontinued
0.6968	Remote Similarity	NPD6500	Approved
0.6968	Remote Similarity	NPD6501	Approved
0.6964	Remote Similarity	NPD3925	Approved
0.6959	Remote Similarity	NPD5416	Discontinued
0.6959	Remote Similarity	NPD1685	Approved
0.6959	Remote Similarity	NPD1684	Approved
0.6951	Remote Similarity	NPD1856	Discontinued
0.695	Remote Similarity	NPD6641	Approved
0.695	Remote Similarity	NPD6642	Approved
0.6942	Remote Similarity	NPD8063	Discontinued
0.6941	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD3478	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD3477	Phase 2
0.6937	Remote Similarity	NPD5930	Phase 3
0.6934	Remote Similarity	NPD7134	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD7426	Phase 1
0.6927	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.6926	Remote Similarity	NPD7673	Phase 3
0.6923	Remote Similarity	NPD6985	Discontinued
0.6923	Remote Similarity	NPD6568	Discontinued
0.6919	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.691	Remote Similarity	NPD1483	Discontinued
0.6905	Remote Similarity	NPD6769	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD8016	Phase 3
0.6897	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD6974	Phase 3
0.6891	Remote Similarity	NPD4670	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD4671	Clinical (unspecified phase)
0.6891	Remote Similarity	NPD4669	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD7956	Approved
0.6888	Remote Similarity	NPD7955	Approved
0.6887	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.6881	Remote Similarity	NPD6496	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD6140	Clinical (unspecified phase)
0.6861	Remote Similarity	NPD5070	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD6476	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD6158	Phase 2
0.6851	Remote Similarity	NPD4350	Approved
0.6851	Remote Similarity	NPD4349	Approved
0.685	Remote Similarity	NPD5938	Phase 3
0.6845	Remote Similarity	NPD2383	Phase 1
0.6842	Remote Similarity	NPD7567	Approved
0.684	Remote Similarity	NPD1768	Approved
0.6833	Remote Similarity	NPD8442	Discontinued
0.6829	Remote Similarity	NPD8054	Approved
0.6829	Remote Similarity	NPD8053	Approved
0.6826	Remote Similarity	NPD6741	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD1229	Phase 2
0.682	Remote Similarity	NPD2916	Discontinued
0.6818	Remote Similarity	NPD5944	Phase 1
0.6818	Remote Similarity	NPD5945	Phase 1
0.6812	Remote Similarity	NPD4021	Phase 2
0.681	Remote Similarity	NPD5805	Approved
0.681	Remote Similarity	NPD3395	Approved
0.681	Remote Similarity	NPD3396	Approved
0.681	Remote Similarity	NPD6251	Discontinued
0.68	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD7654	Discontinued
0.6794	Remote Similarity	NPD3963	Phase 1
0.6786	Remote Similarity	NPD4581	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD6473	Phase 1
0.6766	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD6716	Phase 1
0.6761	Remote Similarity	NPD8395	Approved
0.6761	Remote Similarity	NPD8396	Approved
0.6754	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.675	Remote Similarity	NPD7859	Phase 2
0.6748	Remote Similarity	NPD6227	Discontinued
0.6748	Remote Similarity	NPD7803	Approved
0.6746	Remote Similarity	NPD2334	Discontinued
0.6745	Remote Similarity	NPD7948	Phase 1
0.6743	Remote Similarity	NPD2739	Clinical (unspecified phase)
0.674	Remote Similarity	NPD6246	Approved
0.6736	Remote Similarity	NPD4005	Discontinued
0.6734	Remote Similarity	NPD2781	Approved
0.6733	Remote Similarity	NPD5100	Phase 3
0.6727	Remote Similarity	NPD4131	Phase 3
0.6726	Remote Similarity	NPD7219	Approved
0.6726	Remote Similarity	NPD7221	Approved
0.6724	Remote Similarity	NPD6964	Approved
0.6724	Remote Similarity	NPD6963	Approved
0.6721	Remote Similarity	NPD7708	Approved

Structure

NPC164374 OpenBabel07101719252D 30 33 0 0 0 0 0 0 0 0999 V2000 1.7321 -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 6.0622 -1.5000 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 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 C 0 0 0 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 3.4641 -2.0000 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 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 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 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 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 5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 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 -0.8660 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 O 0 0 0 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 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 15 1 0 0 0 0 7 19 2 0 0 0 0 8 12 2 0 0 0 0 8 17 1 0 0 0 0 9 14 2 0 0 0 0 9 16 1 0 0 0 0 10 18 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 25 2 0 0 0 0 14 25 1 0 0 0 0 15 21 2 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 24 2 0 0 0 0 17 23 2 0 0 0 0 17 27 1 0 0 0 0 18 24 1 0 0 0 0 18 28 1 0 0 0 0 19 23 1 0 0 0 0 19 29 1 0 0 0 0 20 22 2 0 0 0 0 20 30 1 0 0 0 0 21 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL509688
ZINC

Physicochemical Properties

Molecular Weight:	405.16
ALogP:	-0.3914
MLogP:	3.44
XLogP:	3.01
# Rotatable Bonds:	11
Polar Surface Area:	92.04
# H-Bond Aceptor:	2
# H-Bond Donor:	3
# Rings:	4
# Heavy Atoms:	30

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