NPASS Natural Product

Natural Product: NPC74619

Natural Product ID:	NPC74619
Common Name:	Hyrtiocarbolin
IUPAC Name:	6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
Synonyms:	Hyrtiocarbolin
Molecular Formula:	C16H10N4O4
Standard InCHIKey:	LOTMSHGHGRCVGP-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C16H10N4O4/c21-7-1-2-10-8(3-7)9-4-11(16(23)24)20-14(13(9)19-10)15(22)12-5-17-6-18-12/h1-6,19,21H,(H,17,18)(H,23,24)
Canonical SMILES:	Oc1ccc2c(c1)c1cc(nc(c1[nH]2)C(=O)c1[nH]cnc1)C(=O)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
NPO11919	Hyrtios reticulatus	Species	Thorectidae	Eukaryota		Papua New Guinea		PMID[20000782]

Biological Activity

Activity Type	# Activity
IC50	13
Others	1

Activity Type	# Activity
Cell Line	13
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT374	Cell Line	SF-539	Homo sapiens	IC50	>	50	ug/ml	12193022
NPT382	Cell Line	OVCAR-5	Homo sapiens	IC50	>	50	ug/ml	12193022
NPT403	Cell Line	UACC-257	Homo sapiens	IC50	>	50	ug/ml	12193022
NPT385	Cell Line	SR	Homo sapiens	IC50	>	50	ug/ml	12193022
NPT391	Cell Line	HCC 2998	Homo sapiens	IC50	>	50	ug/ml	20035557
NPT397	Cell Line	NCI-H460	Homo sapiens	IC50	=	17	ug/ml	20035557
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	50	ug/ml	20035557
NPT139	Cell Line	HT-29	Homo sapiens	IC50	>	50	ug/ml	20035557
NPT165	Cell Line	HeLa	Homo sapiens	Inhibition	=	57	%	10.6019/CHEMBL1201861
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	34	ug/ml	10.6019/CHEMBL1201861
NPT466	Cell Line	U-937	Homo sapiens	IC50	=	1.5	ug/ml	10.6019/CHEMBL1201861
NPT400	Cell Line	MDA-MB-435	Homo sapiens	IC50	=	3	ug/ml	10.6019/CHEMBL1201861
NPT2	Others	Unspecified		IC50	=	1.2	ug/ml	10.6019/CHEMBL1201861
NPT457	Cell Line	BT-549	Homo sapiens	IC50	=	45	ug/ml	10.6019/CHEMBL1201861

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 NPC74619 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	480
0.1-0.2	3661
0.2-0.3	9199
0.3-0.4	11964
0.4-0.5	2799
0.5-0.6	1554
0.6-0.7	1033
0.7-0.8	187
0.8-0.85	7
0.85-0.9	3
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9254	High Similarity	NPC171393
0.9254	High Similarity	NPC295452
0.8714	High Similarity	NPC63109
0.8658	High Similarity	NPC207686
0.8515	High Similarity	NPC229893
0.8494	Intermediate Similarity	NPC178858
0.8304	Intermediate Similarity	NPC276657
0.8277	Intermediate Similarity	NPC15801
0.8268	Intermediate Similarity	NPC77101
0.8142	Intermediate Similarity	NPC116555
0.812	Intermediate Similarity	NPC130570
0.8017	Intermediate Similarity	NPC27041
0.7992	Intermediate Similarity	NPC39092
0.7957	Intermediate Similarity	NPC82370
0.7893	Intermediate Similarity	NPC97902
0.7888	Intermediate Similarity	NPC282247
0.7819	Intermediate Similarity	NPC182222
0.7807	Intermediate Similarity	NPC476098
0.7787	Intermediate Similarity	NPC267811
0.7783	Intermediate Similarity	NPC270918
0.776	Intermediate Similarity	NPC91868
0.776	Intermediate Similarity	NPC63971
0.7756	Intermediate Similarity	NPC258048
0.7755	Intermediate Similarity	NPC235685
0.7753	Intermediate Similarity	NPC315491
0.7753	Intermediate Similarity	NPC45459
0.7753	Intermediate Similarity	NPC213308
0.7724	Intermediate Similarity	NPC101350
0.7717	Intermediate Similarity	NPC53534
0.7695	Intermediate Similarity	NPC260434
0.7692	Intermediate Similarity	NPC219087
0.7686	Intermediate Similarity	NPC57398
0.7682	Intermediate Similarity	NPC309845
0.7674	Intermediate Similarity	NPC152620
0.7669	Intermediate Similarity	NPC322064
0.7652	Intermediate Similarity	NPC41679
0.7642	Intermediate Similarity	NPC477549
0.7621	Intermediate Similarity	NPC141454
0.7617	Intermediate Similarity	NPC118940
0.7607	Intermediate Similarity	NPC5145
0.7597	Intermediate Similarity	NPC171787
0.7592	Intermediate Similarity	NPC200553
0.7592	Intermediate Similarity	NPC279189
0.759	Intermediate Similarity	NPC148889
0.7573	Intermediate Similarity	NPC74360
0.7572	Intermediate Similarity	NPC323244
0.7554	Intermediate Similarity	NPC244741
0.7543	Intermediate Similarity	NPC475070
0.7542	Intermediate Similarity	NPC110182
0.7531	Intermediate Similarity	NPC264285
0.7521	Intermediate Similarity	NPC122436
0.7521	Intermediate Similarity	NPC266249
0.7521	Intermediate Similarity	NPC36405
0.752	Intermediate Similarity	NPC328924
0.752	Intermediate Similarity	NPC165964
0.7519	Intermediate Similarity	NPC478006
0.751	Intermediate Similarity	NPC473317
0.75	Intermediate Similarity	NPC165599
0.75	Intermediate Similarity	NPC162002
0.749	Intermediate Similarity	NPC472285
0.749	Intermediate Similarity	NPC476041
0.749	Intermediate Similarity	NPC304926
0.7479	Intermediate Similarity	NPC88008
0.7469	Intermediate Similarity	NPC156003
0.7468	Intermediate Similarity	NPC132539
0.7468	Intermediate Similarity	NPC471603
0.7467	Intermediate Similarity	NPC156704
0.746	Intermediate Similarity	NPC174489
0.7458	Intermediate Similarity	NPC123839
0.7454	Intermediate Similarity	NPC477633
0.7452	Intermediate Similarity	NPC478009
0.7452	Intermediate Similarity	NPC478010
0.7427	Intermediate Similarity	NPC48317
0.7421	Intermediate Similarity	NPC473312
0.7418	Intermediate Similarity	NPC125597
0.7414	Intermediate Similarity	NPC315467
0.7407	Intermediate Similarity	NPC16352
0.74	Intermediate Similarity	NPC26641
0.7393	Intermediate Similarity	NPC472259
0.738	Intermediate Similarity	NPC276517
0.7379	Intermediate Similarity	NPC267078
0.7379	Intermediate Similarity	NPC935
0.7368	Intermediate Similarity	NPC69843
0.7366	Intermediate Similarity	NPC60621
0.7364	Intermediate Similarity	NPC89508
0.7364	Intermediate Similarity	NPC314882
0.7362	Intermediate Similarity	NPC175602
0.7359	Intermediate Similarity	NPC192315
0.7358	Intermediate Similarity	NPC6215
0.7355	Intermediate Similarity	NPC269270
0.7354	Intermediate Similarity	NPC473800
0.735	Intermediate Similarity	NPC317701
0.7349	Intermediate Similarity	NPC474357
0.7344	Intermediate Similarity	NPC469727
0.7344	Intermediate Similarity	NPC312645
0.7341	Intermediate Similarity	NPC37152
0.7339	Intermediate Similarity	NPC470323
0.7336	Intermediate Similarity	NPC326422
0.7331	Intermediate Similarity	NPC321428
0.7328	Intermediate Similarity	NPC476167
0.7325	Intermediate Similarity	NPC14686
0.7317	Intermediate Similarity	NPC24370
0.7317	Intermediate Similarity	NPC319232
0.7316	Intermediate Similarity	NPC90229
0.7311	Intermediate Similarity	NPC314056
0.7308	Intermediate Similarity	NPC211813
0.7287	Intermediate Similarity	NPC157931
0.7284	Intermediate Similarity	NPC474916
0.7269	Intermediate Similarity	NPC61038
0.7269	Intermediate Similarity	NPC477112
0.7269	Intermediate Similarity	NPC325297
0.7265	Intermediate Similarity	NPC220851
0.7262	Intermediate Similarity	NPC184225
0.7261	Intermediate Similarity	NPC477979
0.7257	Intermediate Similarity	NPC183777
0.725	Intermediate Similarity	NPC471194
0.725	Intermediate Similarity	NPC471193
0.7249	Intermediate Similarity	NPC478011
0.7249	Intermediate Similarity	NPC478012
0.7246	Intermediate Similarity	NPC473376
0.7241	Intermediate Similarity	NPC77555
0.7231	Intermediate Similarity	NPC62995
0.7229	Intermediate Similarity	NPC202812
0.7229	Intermediate Similarity	NPC326363
0.7228	Intermediate Similarity	NPC478013
0.7228	Intermediate Similarity	NPC117980
0.7225	Intermediate Similarity	NPC62749
0.7222	Intermediate Similarity	NPC314176
0.7222	Intermediate Similarity	NPC477634
0.7217	Intermediate Similarity	NPC99666
0.7217	Intermediate Similarity	NPC324149
0.721	Intermediate Similarity	NPC131887
0.7194	Intermediate Similarity	NPC28945
0.7193	Intermediate Similarity	NPC278434
0.7192	Intermediate Similarity	NPC471536
0.7184	Intermediate Similarity	NPC323969
0.7183	Intermediate Similarity	NPC325976
0.7181	Intermediate Similarity	NPC314002
0.7173	Intermediate Similarity	NPC470500
0.7168	Intermediate Similarity	NPC220765
0.7162	Intermediate Similarity	NPC321708
0.716	Intermediate Similarity	NPC469928
0.7159	Intermediate Similarity	NPC41982
0.7149	Intermediate Similarity	NPC207866
0.7149	Intermediate Similarity	NPC477610
0.7143	Intermediate Similarity	NPC323752
0.7137	Intermediate Similarity	NPC72956
0.7137	Intermediate Similarity	NPC204717
0.7137	Intermediate Similarity	NPC294375
0.7137	Intermediate Similarity	NPC67288
0.7131	Intermediate Similarity	NPC476451
0.7131	Intermediate Similarity	NPC267853
0.7131	Intermediate Similarity	NPC119006
0.713	Intermediate Similarity	NPC83111
0.7121	Intermediate Similarity	NPC216369
0.7119	Intermediate Similarity	NPC471944
0.7119	Intermediate Similarity	NPC237740
0.7115	Intermediate Similarity	NPC26543
0.7107	Intermediate Similarity	NPC153980
0.7107	Intermediate Similarity	NPC6865
0.7104	Intermediate Similarity	NPC218388
0.7103	Intermediate Similarity	NPC244897
0.7103	Intermediate Similarity	NPC196718
0.7094	Intermediate Similarity	NPC74153
0.7094	Intermediate Similarity	NPC227582
0.7091	Intermediate Similarity	NPC314222
0.7091	Intermediate Similarity	NPC196449
0.709	Intermediate Similarity	NPC177996
0.709	Intermediate Similarity	NPC471192
0.709	Intermediate Similarity	NPC147983
0.7083	Intermediate Similarity	NPC475746
0.708	Intermediate Similarity	NPC476491
0.7078	Intermediate Similarity	NPC54744
0.7077	Intermediate Similarity	NPC9729
0.7076	Intermediate Similarity	NPC176538
0.7075	Intermediate Similarity	NPC220852
0.7074	Intermediate Similarity	NPC171171
0.7066	Intermediate Similarity	NPC54981
0.7059	Intermediate Similarity	NPC285343
0.7057	Intermediate Similarity	NPC150447
0.7052	Intermediate Similarity	NPC194740
0.7051	Intermediate Similarity	NPC242209
0.7051	Intermediate Similarity	NPC79356
0.7051	Intermediate Similarity	NPC102592
0.705	Intermediate Similarity	NPC51854
0.7049	Intermediate Similarity	NPC118228
0.7048	Intermediate Similarity	NPC191415
0.7047	Intermediate Similarity	NPC316411
0.7043	Intermediate Similarity	NPC81175
0.7039	Intermediate Similarity	NPC473821
0.7038	Intermediate Similarity	NPC161801
0.7036	Intermediate Similarity	NPC102593
0.7024	Intermediate Similarity	NPC116622
0.702	Intermediate Similarity	NPC35042
0.7012	Intermediate Similarity	NPC478078
0.7012	Intermediate Similarity	NPC192712
0.7008	Intermediate Similarity	NPC476287
0.7004	Intermediate Similarity	NPC477861
0.7004	Intermediate Similarity	NPC252338
0.6996	Remote Similarity	NPC9894

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC74619 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	259
0.1-0.2	697
0.2-0.3	1024
0.3-0.4	1916
0.4-0.5	2438
0.5-0.6	1738
0.6-0.7	998
0.7-0.8	89
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8	Intermediate Similarity	NPD3962	Phase 2
0.8	Intermediate Similarity	NPD3959	Phase 2
0.7976	Intermediate Similarity	NPD4558	Phase 2
0.7854	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7792	Intermediate Similarity	NPD6164	Phase 2
0.7792	Intermediate Similarity	NPD6165	Phase 2
0.7753	Intermediate Similarity	NPD484	Approved
0.7662	Intermediate Similarity	NPD2008	Discontinued
0.7638	Intermediate Similarity	NPD2311	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD1571	Phase 2
0.7592	Intermediate Similarity	NPD1572	Phase 2
0.7592	Intermediate Similarity	NPD3960	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD1600	Suspended
0.7561	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD4442	Phase 2
0.7542	Intermediate Similarity	NPD2411	Approved
0.749	Intermediate Similarity	NPD3914	Clinical (unspecified phase)
0.7472	Intermediate Similarity	NPD5018	Phase 3
0.7451	Intermediate Similarity	NPD5482	Discontinued
0.7447	Intermediate Similarity	NPD2443	Approved
0.7447	Intermediate Similarity	NPD2442	Approved
0.7437	Intermediate Similarity	NPD8488	Clinical (unspecified phase)
0.7434	Intermediate Similarity	NPD7689	Approved
0.7429	Intermediate Similarity	NPD8292	Phase 2
0.7429	Intermediate Similarity	NPD4845	Discontinued
0.7395	Intermediate Similarity	NPD8458	Clinical (unspecified phase)
0.7388	Intermediate Similarity	NPD7603	Discontinued
0.7356	Intermediate Similarity	NPD6228	Discontinued
0.7325	Intermediate Similarity	NPD5827	Discontinued
0.7317	Intermediate Similarity	NPD5887	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD5116	Phase 1
0.729	Intermediate Similarity	NPD7923	Phase 2
0.7284	Intermediate Similarity	NPD534	Phase 2
0.7284	Intermediate Similarity	NPD537	Phase 2
0.7283	Intermediate Similarity	NPD7860	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2812	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2813	Phase 3
0.7269	Intermediate Similarity	NPD2408	Discontinued
0.7261	Intermediate Similarity	NPD460	Discontinued
0.7259	Intermediate Similarity	NPD6724	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD5901	Discontinued
0.7243	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7236	Intermediate Similarity	NPD6753	Phase 1
0.7236	Intermediate Similarity	NPD6752	Phase 1
0.7231	Intermediate Similarity	NPD7112	Discontinued
0.722	Intermediate Similarity	NPD8349	Phase 1
0.7211	Intermediate Similarity	NPD7415	Suspended
0.7203	Intermediate Similarity	NPD8442	Discontinued
0.7192	Intermediate Similarity	NPD3811	Discontinued
0.7185	Intermediate Similarity	NPD1506	Discontinued
0.718	Intermediate Similarity	NPD3343	Phase 3
0.7175	Intermediate Similarity	NPD5509	Phase 1
0.7159	Intermediate Similarity	NPD6530	Approved
0.7159	Intermediate Similarity	NPD6531	Approved
0.7137	Intermediate Similarity	NPD949	Phase 1
0.7116	Intermediate Similarity	NPD5450	Discontinued
0.7115	Intermediate Similarity	NPD6970	Phase 2
0.7114	Intermediate Similarity	NPD6242	Discontinued
0.7113	Intermediate Similarity	NPD3905	Phase 3
0.7112	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD8049	Phase 2
0.7109	Intermediate Similarity	NPD6715	Discontinued
0.709	Intermediate Similarity	NPD2412	Clinical (unspecified phase)
0.709	Intermediate Similarity	NPD3353	Approved
0.7089	Intermediate Similarity	NPD2879	Approved
0.7089	Intermediate Similarity	NPD2881	Approved
0.7087	Intermediate Similarity	NPD3006	Discontinued
0.7085	Intermediate Similarity	NPD4414	Discontinued
0.7083	Intermediate Similarity	NPD2509	Approved
0.7083	Intermediate Similarity	NPD2510	Approved
0.7059	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD7067	Approved
0.7054	Intermediate Similarity	NPD7068	Approved
0.7047	Intermediate Similarity	NPD6142	Phase 3
0.7042	Intermediate Similarity	NPD7176	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD3917	Approved
0.7037	Intermediate Similarity	NPD3916	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD3918	Approved
0.7036	Intermediate Similarity	NPD3746	Discontinued
0.7034	Intermediate Similarity	NPD1480	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD4429	Discontinued
0.7028	Intermediate Similarity	NPD3222	Phase 2
0.7026	Intermediate Similarity	NPD459	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD7948	Phase 1
0.7021	Intermediate Similarity	NPD2880	Discontinued
0.7004	Intermediate Similarity	NPD8105	Discontinued
0.7	Intermediate Similarity	NPD3042	Approved
0.7	Intermediate Similarity	NPD7269	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD3043	Approved
0.6996	Remote Similarity	NPD7470	Discontinued
0.6996	Remote Similarity	NPD3915	Approved
0.6996	Remote Similarity	NPD8013	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD6231	Phase 3
0.6993	Remote Similarity	NPD8421	Discontinued
0.6989	Remote Similarity	NPD8525	Approved
0.6984	Remote Similarity	NPD7767	Approved
0.6976	Remote Similarity	NPD6210	Phase 3
0.6974	Remote Similarity	NPD3178	Discontinued
0.6973	Remote Similarity	NPD7996	Phase 2
0.6972	Remote Similarity	NPD8524	Approved
0.6971	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD3814	Phase 1
0.6958	Remote Similarity	NPD8310	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.6955	Remote Similarity	NPD3014	Clinical (unspecified phase)
0.6955	Remote Similarity	NPD3013	Phase 3
0.6955	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD3393	Approved
0.6951	Remote Similarity	NPD3389	Approved
0.6951	Remote Similarity	NPD3394	Approved
0.695	Remote Similarity	NPD5821	Approved
0.695	Remote Similarity	NPD7856	Phase 2
0.695	Remote Similarity	NPD7857	Phase 3
0.6945	Remote Similarity	NPD7198	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD3243	Approved
0.6938	Remote Similarity	NPD1927	Discontinued
0.6936	Remote Similarity	NPD8641	Approved
0.6935	Remote Similarity	NPD4312	Approved
0.6935	Remote Similarity	NPD5807	Phase 2
0.6929	Remote Similarity	NPD1955	Discontinued
0.6926	Remote Similarity	NPD706	Phase 1
0.6923	Remote Similarity	NPD5802	Phase 2
0.6923	Remote Similarity	NPD994	Phase 2
0.6923	Remote Similarity	NPD996	Phase 2
0.6923	Remote Similarity	NPD4440	Clinical (unspecified phase)
0.692	Remote Similarity	NPD5001	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD6130	Phase 1
0.6914	Remote Similarity	NPD6545	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD7971	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD7970	Approved
0.6901	Remote Similarity	NPD796	Phase 2
0.6901	Remote Similarity	NPD8410	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD1197	Approved
0.6895	Remote Similarity	NPD1623	Approved
0.6895	Remote Similarity	NPD5533	Discontinued
0.6894	Remote Similarity	NPD1173	Approved
0.689	Remote Similarity	NPD5022	Discontinued
0.6889	Remote Similarity	NPD4894	Discontinued
0.6888	Remote Similarity	NPD5426	Phase 3
0.6886	Remote Similarity	NPD5459	Phase 2
0.6884	Remote Similarity	NPD6153	Approved
0.6883	Remote Similarity	NPD5612	Discontinued
0.6882	Remote Similarity	NPD5644	Phase 1
0.688	Remote Similarity	NPD4438	Approved
0.6877	Remote Similarity	NPD7694	Discontinued
0.6875	Remote Similarity	NPD7393	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD7665	Phase 2
0.6872	Remote Similarity	NPD7232	Discontinued
0.6872	Remote Similarity	NPD7666	Phase 3
0.6872	Remote Similarity	NPD4612	Discontinued
0.687	Remote Similarity	NPD7557	Clinical (unspecified phase)
0.687	Remote Similarity	NPD2094	Phase 2
0.687	Remote Similarity	NPD2095	Phase 2
0.687	Remote Similarity	NPD2092	Phase 2
0.687	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6865	Remote Similarity	NPD4401	Phase 2
0.6865	Remote Similarity	NPD4403	Phase 3
0.6854	Remote Similarity	NPD6458	Discontinued
0.6853	Remote Similarity	NPD5907	Phase 3
0.6852	Remote Similarity	NPD5399	Discovery
0.6852	Remote Similarity	NPD5461	Discontinued
0.6842	Remote Similarity	NPD2547	Discontinued
0.684	Remote Similarity	NPD2091	Phase 2
0.684	Remote Similarity	NPD245	Suspended
0.684	Remote Similarity	NPD2096	Phase 2
0.6836	Remote Similarity	NPD1224	Phase 2
0.6836	Remote Similarity	NPD1225	Phase 2
0.6834	Remote Similarity	NPD4938	Phase 2
0.6833	Remote Similarity	NPD5017	Discontinued
0.6829	Remote Similarity	NPD2794	Discontinued
0.6829	Remote Similarity	NPD8096	Phase 3
0.6829	Remote Similarity	NPD8097	Phase 3
0.6828	Remote Similarity	NPD482	Approved
0.6827	Remote Similarity	NPD6470	Phase 3
0.6825	Remote Similarity	NPD7202	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD7408	Phase 2
0.6825	Remote Similarity	NPD6173	Approved
0.682	Remote Similarity	NPD6473	Phase 1
0.682	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.682	Remote Similarity	NPD6999	Discontinued
0.6818	Remote Similarity	NPD4896	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD6172	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD7998	Clinical (unspecified phase)
0.6816	Remote Similarity	NPD7465	Suspended
0.6815	Remote Similarity	NPD6957	Approved
0.6815	Remote Similarity	NPD6958	Approved
0.6815	Remote Similarity	NPD5490	Discontinued
0.6809	Remote Similarity	NPD6223	Clinical (unspecified phase)
0.6808	Remote Similarity	NPD6992	Phase 2
0.6807	Remote Similarity	NPD5812	Discontinued
0.6803	Remote Similarity	NPD2189	Approved
0.6803	Remote Similarity	NPD6376	Discontinued
0.6803	Remote Similarity	NPD2187	Approved
0.68	Remote Similarity	NPD5199	Approved
0.68	Remote Similarity	NPD5198	Approved
0.6798	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD3986	Discontinued
0.679	Remote Similarity	NPD7568	Phase 1

Structure

NPC74619 OpenBabel07101718242D 24 27 0 0 0 0 0 0 0 0999 V2000 3.6508 -3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6562 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4697 -1.5646 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 -1.6750 -3.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0575 -2.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -1.6691 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 2.0685 -2.5827 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 -0.8660 -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 0.0000 -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 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -4.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -3.0878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 -2.4781 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 5.0520 -2.2691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 2 10 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 11 1 0 0 0 0 5 12 2 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 1 0 0 0 0 10 19 1 0 0 0 0 11 16 1 0 0 0 0 11 20 2 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 22 2 0 0 0 0 16 23 1 0 0 0 0 16 24 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	46184324
ChEMBL	CHEMBL1076872
ZINC

Physicochemical Properties

Molecular Weight:	322.07
ALogP:	-1.8047
MLogP:	2.34
XLogP:	0.837
# Rotatable Bonds:	5
Polar Surface Area:	131.96
# H-Bond Aceptor:	7
# H-Bond Donor:	4
# Rings:	4
# Heavy Atoms:	24

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