NPASS Natural Product

Natural Product: NPC178858

Natural Product ID:	NPC178858
Common Name:	Hyrtioerectine A
IUPAC Name:	2-[6-hydroxy-3-(6-hydroxy-1H-indol-3-yl)-9H-pyrido[3,4-b]indol-4-yl]-2-oxoacetic acid
Synonyms:
Molecular Formula:	C21H13N3O5
Standard InCHIKey:	AYFYGTZIXVBNOU-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H13N3O5/c25-9-2-4-14-12(5-9)17-16(24-14)8-23-19(18(17)20(27)21(28)29)13-7-22-15-6-10(26)1-3-11(13)15/h1-8,22,24-26H,(H,28,29)
Canonical SMILES:	Oc1ccc2c(c1)[nH]cc2c1ncc2c(c1C(=O)C(=O)O)c1cc(O)ccc1[nH]2
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
NPO5239	Hyrtios erectus	Species	Thorectidae	Eukaryota		Red Sea		PMID[16180827]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	10	ug/ml	21794960

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 NPC178858 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	406
0.1-0.2	2723
0.2-0.3	9944
0.3-0.4	7227
0.4-0.5	7567
0.5-0.6	1480
0.6-0.7	1178
0.7-0.8	338
0.8-0.85	20
0.85-0.9	6
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8964	High Similarity	NPC207686
0.8767	High Similarity	NPC276657
0.8565	High Similarity	NPC229893
0.8547	High Similarity	NPC63971
0.8547	High Similarity	NPC91868
0.8507	High Similarity	NPC264285
0.8494	Intermediate Similarity	NPC74619
0.8478	Intermediate Similarity	NPC235685
0.8442	Intermediate Similarity	NPC101350
0.8378	Intermediate Similarity	NPC27041
0.8356	Intermediate Similarity	NPC16352
0.8299	Intermediate Similarity	NPC63109
0.824	Intermediate Similarity	NPC15801
0.823	Intermediate Similarity	NPC60621
0.8198	Intermediate Similarity	NPC219087
0.8194	Intermediate Similarity	NPC213308
0.819	Intermediate Similarity	NPC309845
0.8079	Intermediate Similarity	NPC122436
0.8054	Intermediate Similarity	NPC183777
0.8045	Intermediate Similarity	NPC475070
0.8043	Intermediate Similarity	NPC477549
0.8026	Intermediate Similarity	NPC260434
0.8025	Intermediate Similarity	NPC295452
0.8025	Intermediate Similarity	NPC171393
0.8009	Intermediate Similarity	NPC322064
0.8	Intermediate Similarity	NPC97902
0.7982	Intermediate Similarity	NPC74360
0.7973	Intermediate Similarity	NPC88008
0.7956	Intermediate Similarity	NPC110182
0.7946	Intermediate Similarity	NPC5145
0.7945	Intermediate Similarity	NPC315491
0.7945	Intermediate Similarity	NPC45459
0.7937	Intermediate Similarity	NPC171787
0.7915	Intermediate Similarity	NPC200553
0.7915	Intermediate Similarity	NPC279189
0.7915	Intermediate Similarity	NPC132329
0.7912	Intermediate Similarity	NPC152620
0.7911	Intermediate Similarity	NPC82370
0.7899	Intermediate Similarity	NPC41679
0.7895	Intermediate Similarity	NPC304926
0.7895	Intermediate Similarity	NPC476041
0.7895	Intermediate Similarity	NPC469727
0.7892	Intermediate Similarity	NPC270918
0.7886	Intermediate Similarity	NPC53534
0.7884	Intermediate Similarity	NPC160898
0.7874	Intermediate Similarity	NPC77101
0.787	Intermediate Similarity	NPC324149
0.7854	Intermediate Similarity	NPC258048
0.7848	Intermediate Similarity	NPC182222
0.7838	Intermediate Similarity	NPC476098
0.7826	Intermediate Similarity	NPC193267
0.7826	Intermediate Similarity	NPC213530
0.7815	Intermediate Similarity	NPC162002
0.781	Intermediate Similarity	NPC78609
0.7808	Intermediate Similarity	NPC156704
0.7808	Intermediate Similarity	NPC227582
0.7788	Intermediate Similarity	NPC99666
0.7773	Intermediate Similarity	NPC474916
0.7773	Intermediate Similarity	NPC174489
0.7768	Intermediate Similarity	NPC175602
0.7758	Intermediate Similarity	NPC134848
0.7749	Intermediate Similarity	NPC269270
0.7735	Intermediate Similarity	NPC476818
0.7729	Intermediate Similarity	NPC237740
0.7725	Intermediate Similarity	NPC220851
0.7717	Intermediate Similarity	NPC276517
0.7716	Intermediate Similarity	NPC14686
0.7708	Intermediate Similarity	NPC26641
0.7703	Intermediate Similarity	NPC252338
0.7696	Intermediate Similarity	NPC469928
0.7696	Intermediate Similarity	NPC330009
0.7692	Intermediate Similarity	NPC131887
0.7685	Intermediate Similarity	NPC46580
0.7679	Intermediate Similarity	NPC53144
0.7665	Intermediate Similarity	NPC61038
0.7647	Intermediate Similarity	NPC90229
0.7647	Intermediate Similarity	NPC77555
0.7645	Intermediate Similarity	NPC37152
0.7644	Intermediate Similarity	NPC470500
0.7639	Intermediate Similarity	NPC62749
0.7635	Intermediate Similarity	NPC184225
0.7634	Intermediate Similarity	NPC211813
0.7627	Intermediate Similarity	NPC319232
0.7627	Intermediate Similarity	NPC24370
0.7621	Intermediate Similarity	NPC39679
0.7617	Intermediate Similarity	NPC130570
0.7613	Intermediate Similarity	NPC67288
0.7613	Intermediate Similarity	NPC306376
0.7611	Intermediate Similarity	NPC165964
0.7605	Intermediate Similarity	NPC326363
0.7604	Intermediate Similarity	NPC278434
0.7591	Intermediate Similarity	NPC326422
0.7583	Intermediate Similarity	NPC323752
0.7582	Intermediate Similarity	NPC473312
0.7578	Intermediate Similarity	NPC74413
0.7573	Intermediate Similarity	NPC477112
0.7572	Intermediate Similarity	NPC477861
0.7565	Intermediate Similarity	NPC12344
0.7556	Intermediate Similarity	NPC260900
0.7555	Intermediate Similarity	NPC167860
0.7555	Intermediate Similarity	NPC123976
0.7552	Intermediate Similarity	NPC325976
0.7541	Intermediate Similarity	NPC148889
0.754	Intermediate Similarity	NPC216369
0.7532	Intermediate Similarity	NPC207866
0.7522	Intermediate Similarity	NPC200836
0.7521	Intermediate Similarity	NPC6215
0.7512	Intermediate Similarity	NPC314002
0.7511	Intermediate Similarity	NPC325297
0.75	Intermediate Similarity	NPC474412
0.75	Intermediate Similarity	NPC220765
0.7489	Intermediate Similarity	NPC323969
0.7478	Intermediate Similarity	NPC57398
0.7478	Intermediate Similarity	NPC85273
0.7477	Intermediate Similarity	NPC326634
0.7477	Intermediate Similarity	NPC202812
0.7468	Intermediate Similarity	NPC36405
0.7467	Intermediate Similarity	NPC266249
0.7465	Intermediate Similarity	NPC204717
0.7457	Intermediate Similarity	NPC477610
0.7455	Intermediate Similarity	NPC192315
0.7455	Intermediate Similarity	NPC154339
0.7449	Intermediate Similarity	NPC473187
0.7446	Intermediate Similarity	NPC87413
0.7445	Intermediate Similarity	NPC317701
0.7445	Intermediate Similarity	NPC223427
0.7434	Intermediate Similarity	NPC232727
0.7424	Intermediate Similarity	NPC244741
0.7422	Intermediate Similarity	NPC476167
0.7417	Intermediate Similarity	NPC194740
0.7414	Intermediate Similarity	NPC294620
0.7414	Intermediate Similarity	NPC118940
0.7411	Intermediate Similarity	NPC141454
0.7403	Intermediate Similarity	NPC123839
0.7397	Intermediate Similarity	NPC171171
0.7393	Intermediate Similarity	NPC3207
0.7391	Intermediate Similarity	NPC86834
0.7391	Intermediate Similarity	NPC210828
0.7389	Intermediate Similarity	NPC176538
0.7379	Intermediate Similarity	NPC208522
0.7376	Intermediate Similarity	NPC83111
0.7371	Intermediate Similarity	NPC23294
0.7368	Intermediate Similarity	NPC165599
0.7362	Intermediate Similarity	NPC472285
0.7361	Intermediate Similarity	NPC55772
0.7359	Intermediate Similarity	NPC472070
0.7357	Intermediate Similarity	NPC471944
0.7355	Intermediate Similarity	NPC119006
0.7354	Intermediate Similarity	NPC267343
0.7352	Intermediate Similarity	NPC303374
0.7349	Intermediate Similarity	NPC469734
0.7344	Intermediate Similarity	NPC471762
0.7341	Intermediate Similarity	NPC153400
0.7333	Intermediate Similarity	NPC74153
0.733	Intermediate Similarity	NPC321708
0.7328	Intermediate Similarity	NPC303951
0.732	Intermediate Similarity	NPC218388
0.7315	Intermediate Similarity	NPC111275
0.7315	Intermediate Similarity	NPC96890
0.7315	Intermediate Similarity	NPC184964
0.7311	Intermediate Similarity	NPC473317
0.7306	Intermediate Similarity	NPC295228
0.7304	Intermediate Similarity	NPC472064
0.7303	Intermediate Similarity	NPC478078
0.7303	Intermediate Similarity	NPC157931
0.7296	Intermediate Similarity	NPC9894
0.7287	Intermediate Similarity	NPC132385
0.7284	Intermediate Similarity	NPC476116
0.7277	Intermediate Similarity	NPC473821
0.7273	Intermediate Similarity	NPC4687
0.7269	Intermediate Similarity	NPC478009
0.7269	Intermediate Similarity	NPC174760
0.7265	Intermediate Similarity	NPC138370
0.7262	Intermediate Similarity	NPC26543
0.7261	Intermediate Similarity	NPC132539
0.7261	Intermediate Similarity	NPC285558
0.7261	Intermediate Similarity	NPC472259
0.7257	Intermediate Similarity	NPC96321
0.7257	Intermediate Similarity	NPC473041
0.7255	Intermediate Similarity	NPC478083
0.7251	Intermediate Similarity	NPC161801
0.7249	Intermediate Similarity	NPC476073
0.7247	Intermediate Similarity	NPC470784
0.7246	Intermediate Similarity	NPC148183
0.7246	Intermediate Similarity	NPC152768
0.7238	Intermediate Similarity	NPC310118
0.7236	Intermediate Similarity	NPC35042
0.7234	Intermediate Similarity	NPC89508
0.7234	Intermediate Similarity	NPC266931
0.7234	Intermediate Similarity	NPC250448
0.7234	Intermediate Similarity	NPC31700
0.7233	Intermediate Similarity	NPC473800
0.7231	Intermediate Similarity	NPC476491
0.7231	Intermediate Similarity	NPC315467
0.7229	Intermediate Similarity	NPC300156
0.7229	Intermediate Similarity	NPC39092
0.7229	Intermediate Similarity	NPC472065
0.7228	Intermediate Similarity	NPC196449
0.7228	Intermediate Similarity	NPC314222
0.7222	Intermediate Similarity	NPC294375

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC178858 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	243
0.1-0.2	683
0.2-0.3	1067
0.3-0.4	1632
0.4-0.5	2666
0.5-0.6	1926
0.6-0.7	854
0.7-0.8	90
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
0.7958	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7945	Intermediate Similarity	NPD484	Approved
0.7821	Intermediate Similarity	NPD4845	Discontinued
0.7755	Intermediate Similarity	NPD5482	Discontinued
0.7731	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7718	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7644	Intermediate Similarity	NPD5901	Discontinued
0.7627	Intermediate Similarity	NPD7603	Discontinued
0.7591	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7579	Intermediate Similarity	NPD6530	Approved
0.7579	Intermediate Similarity	NPD6531	Approved
0.7564	Intermediate Similarity	NPD6242	Discontinued
0.7554	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.752	Intermediate Similarity	NPD3959	Phase 2
0.752	Intermediate Similarity	NPD3962	Phase 2
0.7489	Intermediate Similarity	NPD7948	Phase 1
0.7467	Intermediate Similarity	NPD2510	Approved
0.7467	Intermediate Similarity	NPD2509	Approved
0.745	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD5426	Phase 3
0.7393	Intermediate Similarity	NPD5450	Discontinued
0.7362	Intermediate Similarity	NPD8091	Phase 3
0.7331	Intermediate Similarity	NPD4429	Discontinued
0.7331	Intermediate Similarity	NPD3986	Discontinued
0.7325	Intermediate Similarity	NPD3746	Discontinued
0.7316	Intermediate Similarity	NPD7666	Phase 3
0.7316	Intermediate Similarity	NPD7665	Phase 2
0.7305	Intermediate Similarity	NPD6228	Discontinued
0.7303	Intermediate Similarity	NPD6165	Phase 2
0.7303	Intermediate Similarity	NPD6164	Phase 2
0.7293	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7269	Intermediate Similarity	NPD6999	Discontinued
0.7269	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD6987	Phase 1
0.7254	Intermediate Similarity	NPD3960	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD3389	Approved
0.7246	Intermediate Similarity	NPD3394	Approved
0.7246	Intermediate Similarity	NPD3393	Approved
0.7236	Intermediate Similarity	NPD3006	Discontinued
0.7224	Intermediate Similarity	NPD4373	Phase 2
0.7222	Intermediate Similarity	NPD4558	Phase 2
0.7218	Intermediate Similarity	NPD7181	Phase 3
0.7211	Intermediate Similarity	NPD5488	Discontinued
0.7195	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD8096	Phase 3
0.7191	Intermediate Similarity	NPD8097	Phase 3
0.7189	Intermediate Similarity	NPD6790	Phase 1
0.7184	Intermediate Similarity	NPD5151	Clinical (unspecified phase)
0.7173	Intermediate Similarity	NPD5612	Discontinued
0.7173	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD5022	Discontinued
0.7172	Intermediate Similarity	NPD4952	Phase 3
0.7169	Intermediate Similarity	NPD8349	Phase 1
0.7167	Intermediate Similarity	NPD2916	Discontinued
0.7137	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.7131	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD8395	Approved
0.7118	Intermediate Similarity	NPD8396	Approved
0.7094	Intermediate Similarity	NPD5658	Approved
0.7089	Intermediate Similarity	NPD3794	Approved
0.7089	Intermediate Similarity	NPD3795	Approved
0.7082	Intermediate Similarity	NPD6732	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD4561	Discontinued
0.7077	Intermediate Similarity	NPD8279	Clinical (unspecified phase)
0.7076	Intermediate Similarity	NPD7470	Discontinued
0.7074	Intermediate Similarity	NPD4987	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD7925	Phase 2
0.7072	Intermediate Similarity	NPD7924	Phase 2
0.7072	Intermediate Similarity	NPD2091	Phase 2
0.7072	Intermediate Similarity	NPD2096	Phase 2
0.7054	Intermediate Similarity	NPD4948	Discontinued
0.7051	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD1038	Approved
0.7048	Intermediate Similarity	NPD802	Phase 2
0.7047	Intermediate Similarity	NPD8358	Approved
0.7039	Intermediate Similarity	NPD3947	Discontinued
0.7039	Intermediate Similarity	NPD4795	Phase 2
0.7027	Intermediate Similarity	NPD2094	Phase 2
0.7027	Intermediate Similarity	NPD2092	Phase 2
0.7027	Intermediate Similarity	NPD2095	Phase 2
0.7023	Intermediate Similarity	NPD6456	Discontinued
0.7021	Intermediate Similarity	NPD6376	Discontinued
0.702	Intermediate Similarity	NPD3259	Approved
0.7017	Intermediate Similarity	NPD3243	Approved
0.7016	Intermediate Similarity	NPD7558	Phase 2
0.7009	Intermediate Similarity	NPD7001	Phase 3
0.7004	Intermediate Similarity	NPD6962	Phase 2
0.7004	Intermediate Similarity	NPD5416	Discontinued
0.7004	Intermediate Similarity	NPD5475	Discontinued
0.6996	Remote Similarity	NPD4886	Phase 2
0.6987	Remote Similarity	NPD4897	Phase 2
0.6986	Remote Similarity	NPD482	Approved
0.6986	Remote Similarity	NPD5065	Approved
0.6976	Remote Similarity	NPD4885	Approved
0.6975	Remote Similarity	NPD4852	Phase 2
0.6971	Remote Similarity	NPD3354	Phase 2
0.6971	Remote Similarity	NPD5632	Approved
0.6962	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6958	Remote Similarity	NPD8160	Phase 2
0.6955	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD7393	Clinical (unspecified phase)
0.694	Remote Similarity	NPD1740	Approved
0.694	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.694	Remote Similarity	NPD1739	Approved
0.6926	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD5559	Phase 2
0.6907	Remote Similarity	NPD3930	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD4442	Phase 2
0.6904	Remote Similarity	NPD3330	Phase 1
0.69	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD6137	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD7621	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD8098	Approved
0.6889	Remote Similarity	NPD8467	Approved
0.6889	Remote Similarity	NPD8465	Approved
0.6889	Remote Similarity	NPD8466	Approved
0.6886	Remote Similarity	NPD2336	Approved
0.6868	Remote Similarity	NPD7803	Approved
0.6864	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD2008	Discontinued
0.6864	Remote Similarity	NPD3932	Clinical (unspecified phase)
0.6862	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.686	Remote Similarity	NPD3809	Discontinued
0.6857	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD1571	Phase 2
0.6854	Remote Similarity	NPD8364	Approved
0.6854	Remote Similarity	NPD8363	Approved
0.6846	Remote Similarity	NPD8463	Approved
0.6844	Remote Similarity	NPD7923	Phase 2
0.6844	Remote Similarity	NPD1996	Discontinued
0.6844	Remote Similarity	NPD3280	Approved
0.684	Remote Similarity	NPD1572	Phase 2
0.6833	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD7069	Discontinued
0.6833	Remote Similarity	NPD2411	Approved
0.6831	Remote Similarity	NPD7878	Phase 2
0.6827	Remote Similarity	NPD8512	Phase 3
0.6824	Remote Similarity	NPD3914	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD6733	Discontinued
0.6816	Remote Similarity	NPD5506	Approved
0.6816	Remote Similarity	NPD5507	Approved
0.6815	Remote Similarity	NPD7994	Phase 2
0.6815	Remote Similarity	NPD6292	Clinical (unspecified phase)
0.6814	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD4850	Phase 1
0.6812	Remote Similarity	NPD5592	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD7690	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD7956	Approved
0.6806	Remote Similarity	NPD7955	Approved
0.6803	Remote Similarity	NPD3258	Approved
0.6803	Remote Similarity	NPD5509	Phase 1
0.6803	Remote Similarity	NPD7689	Approved
0.6803	Remote Similarity	NPD7404	Approved
0.6803	Remote Similarity	NPD8365	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD8101	Phase 3
0.6792	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.679	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD8426	Approved
0.6788	Remote Similarity	NPD8459	Approved
0.6788	Remote Similarity	NPD8425	Approved
0.6788	Remote Similarity	NPD8460	Approved
0.6786	Remote Similarity	NPD6963	Approved
0.6786	Remote Similarity	NPD6964	Approved
0.6778	Remote Similarity	NPD7941	Phase 3
0.6767	Remote Similarity	NPD2307	Discontinued
0.6766	Remote Similarity	NPD4511	Phase 1
0.6765	Remote Similarity	NPD8428	Approved
0.6765	Remote Similarity	NPD8427	Approved
0.6765	Remote Similarity	NPD8429	Approved
0.6763	Remote Similarity	NPD8093	Discontinued
0.676	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.676	Remote Similarity	NPD5479	Discontinued
0.6756	Remote Similarity	NPD3178	Discontinued
0.6751	Remote Similarity	NPD6323	Clinical (unspecified phase)
0.6751	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.6749	Remote Similarity	NPD7112	Discontinued
0.6746	Remote Similarity	NPD6494	Phase 2
0.6745	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD3928	Approved
0.6737	Remote Similarity	NPD3931	Approved
0.6736	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.6734	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD7068	Approved
0.6732	Remote Similarity	NPD7067	Approved
0.6732	Remote Similarity	NPD4368	Phase 2
0.6727	Remote Similarity	NPD2844	Phase 3
0.6724	Remote Similarity	NPD4418	Discontinued
0.6723	Remote Similarity	NPD4601	Approved
0.6723	Remote Similarity	NPD4600	Approved
0.6718	Remote Similarity	NPD6276	Discontinued
0.6718	Remote Similarity	NPD2311	Clinical (unspecified phase)
0.6717	Remote Similarity	NPD7708	Approved
0.6716	Remote Similarity	NPD5018	Phase 3
0.6712	Remote Similarity	NPD750	Phase 2
0.6711	Remote Similarity	NPD6595	Phase 3
0.671	Remote Similarity	NPD5937	Approved

Structure

NPC178858 OpenBabel07101718322D 29 33 0 0 0 0 0 0 0 0999 V2000 -3.0667 -0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6722 1.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4268 1.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 2.4945 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 4.0844 2.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7359 0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7796 1.0933 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 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 1.8364 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 1.7321 1.0000 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 0.0000 1.0000 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 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 2.7024 0.0000 N 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 2.6831 -0.3090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 3.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 0.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 10 1 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 3 11 1 0 0 0 0 4 14 1 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 13 2 0 0 0 0 7 22 1 0 0 0 0 8 16 2 0 0 0 0 8 23 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 14 24 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 20 27 2 0 0 0 0 21 28 1 0 0 0 0 21 29 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11589139
ChEMBL	CHEMBL517192
ZINC

Physicochemical Properties

Molecular Weight:	387.09
ALogP:	-2.265
MLogP:	2.89
XLogP:	1.017
# Rotatable Bonds:	6
Polar Surface Area:	139.3
# H-Bond Aceptor:	6
# H-Bond Donor:	5
# Rings:	5
# Heavy Atoms:	29

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