NPASS Natural Product

Natural Product: NPC14686

Natural Product ID:	NPC14686
Common Name:	Zyzzyanone C
IUPAC Name:	N-[2-[5-(4-hydroxyphenyl)-1-methyl-4,8-dioxo-7H-pyrrolo[3,2-f]indol-3-yl]ethyl]-N-methylformamide
Synonyms:	Zyzzyanone C
Molecular Formula:	C21H19N3O4
Standard InCHIKey:	XVILBCSQUJVEAO-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H19N3O4/c1-23(11-25)8-7-13-10-24(2)19-16(13)20(27)17-15(9-22-18(17)21(19)28)12-3-5-14(26)6-4-12/h3-6,9-11,22,26H,7-8H2,1-2H3
Canonical SMILES:	O=CN(CCc1cn(c2c1c(=O)c1c(c[nH]c1c2=O)c1ccc(cc1)O)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
NPO32549	zyzzya fuliginosa	Species	NA	Eukaryota				PMID[16180829]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	25	ug/ml	19105653

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 NPC14686 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	313
0.1-0.2	1941
0.2-0.3	9340
0.3-0.4	4571
0.4-0.5	11322
0.5-0.6	1875
0.6-0.7	1336
0.7-0.8	178
0.8-0.85	8
0.85-0.9	0
0.9-0.95	3
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9949	High Similarity	NPC269270
0.9541	High Similarity	NPC110182
0.9192	High Similarity	NPC61038
0.904	High Similarity	NPC175602
0.901	High Similarity	NPC207866
0.8224	Intermediate Similarity	NPC276657
0.8177	Intermediate Similarity	NPC78767
0.8177	Intermediate Similarity	NPC74153
0.8177	Intermediate Similarity	NPC473814
0.8168	Intermediate Similarity	NPC93390
0.8119	Intermediate Similarity	NPC473821
0.8037	Intermediate Similarity	NPC322064
0.8	Intermediate Similarity	NPC27041
0.7963	Intermediate Similarity	NPC264285
0.7857	Intermediate Similarity	NPC207686
0.7839	Intermediate Similarity	NPC271792
0.7818	Intermediate Similarity	NPC16352
0.7797	Intermediate Similarity	NPC15801
0.7746	Intermediate Similarity	NPC183777
0.7716	Intermediate Similarity	NPC178858
0.7686	Intermediate Similarity	NPC101350
0.7671	Intermediate Similarity	NPC472285
0.767	Intermediate Similarity	NPC476460
0.765	Intermediate Similarity	NPC91868
0.765	Intermediate Similarity	NPC63971
0.7642	Intermediate Similarity	NPC235685
0.7634	Intermediate Similarity	NPC319232
0.7634	Intermediate Similarity	NPC24370
0.7628	Intermediate Similarity	NPC171787
0.7623	Intermediate Similarity	NPC229893
0.7611	Intermediate Similarity	NPC326363
0.7604	Intermediate Similarity	NPC82370
0.7598	Intermediate Similarity	NPC477549
0.7589	Intermediate Similarity	NPC476818
0.7571	Intermediate Similarity	NPC227582
0.7569	Intermediate Similarity	NPC219087
0.7568	Intermediate Similarity	NPC323969
0.7566	Intermediate Similarity	NPC194740
0.7555	Intermediate Similarity	NPC325976
0.7548	Intermediate Similarity	NPC471448
0.7544	Intermediate Similarity	NPC279189
0.7544	Intermediate Similarity	NPC196718
0.7544	Intermediate Similarity	NPC200553
0.7512	Intermediate Similarity	NPC295158
0.75	Intermediate Similarity	NPC270918
0.7467	Intermediate Similarity	NPC122436
0.7467	Intermediate Similarity	NPC102593
0.7465	Intermediate Similarity	NPC252338
0.7464	Intermediate Similarity	NPC56170
0.7453	Intermediate Similarity	NPC131887
0.7446	Intermediate Similarity	NPC162002
0.7435	Intermediate Similarity	NPC323752
0.743	Intermediate Similarity	NPC471944
0.7427	Intermediate Similarity	NPC63109
0.7421	Intermediate Similarity	NPC237740
0.7418	Intermediate Similarity	NPC74413
0.7403	Intermediate Similarity	NPC174489
0.7387	Intermediate Similarity	NPC36405
0.7383	Intermediate Similarity	NPC213308
0.7381	Intermediate Similarity	NPC99666
0.7379	Intermediate Similarity	NPC477003
0.7366	Intermediate Similarity	NPC74360
0.7364	Intermediate Similarity	NPC23294
0.7361	Intermediate Similarity	NPC317701
0.7361	Intermediate Similarity	NPC134848
0.7353	Intermediate Similarity	NPC67659
0.7346	Intermediate Similarity	NPC304203
0.7343	Intermediate Similarity	NPC311282
0.7339	Intermediate Similarity	NPC184225
0.7339	Intermediate Similarity	NPC26641
0.7328	Intermediate Similarity	NPC182222
0.7325	Intermediate Similarity	NPC74619
0.7318	Intermediate Similarity	NPC303951
0.7315	Intermediate Similarity	NPC260900
0.7304	Intermediate Similarity	NPC284775
0.7302	Intermediate Similarity	NPC315491
0.7302	Intermediate Similarity	NPC45459
0.7301	Intermediate Similarity	NPC473317
0.73	Intermediate Similarity	NPC78609
0.7277	Intermediate Similarity	NPC37152
0.7273	Intermediate Similarity	NPC278434
0.7273	Intermediate Similarity	NPC477112
0.7253	Intermediate Similarity	NPC97902
0.7248	Intermediate Similarity	NPC472259
0.7232	Intermediate Similarity	NPC330009
0.7227	Intermediate Similarity	NPC210828
0.7227	Intermediate Similarity	NPC39679
0.7227	Intermediate Similarity	NPC86834
0.7222	Intermediate Similarity	NPC473187
0.7217	Intermediate Similarity	NPC324149
0.721	Intermediate Similarity	NPC220852
0.721	Intermediate Similarity	NPC70155
0.7209	Intermediate Similarity	NPC472284
0.7207	Intermediate Similarity	NPC9894
0.7205	Intermediate Similarity	NPC125597
0.72	Intermediate Similarity	NPC293151
0.7198	Intermediate Similarity	NPC260434
0.7193	Intermediate Similarity	NPC220851
0.7191	Intermediate Similarity	NPC28945
0.719	Intermediate Similarity	NPC206186
0.7189	Intermediate Similarity	NPC300183
0.7186	Intermediate Similarity	NPC470680
0.7186	Intermediate Similarity	NPC100104
0.7177	Intermediate Similarity	NPC241025
0.7172	Intermediate Similarity	NPC53534
0.7168	Intermediate Similarity	NPC303658
0.7163	Intermediate Similarity	NPC156704
0.7163	Intermediate Similarity	NPC77555
0.7162	Intermediate Similarity	NPC309845
0.716	Intermediate Similarity	NPC244543
0.716	Intermediate Similarity	NPC314882
0.7155	Intermediate Similarity	NPC208522
0.7143	Intermediate Similarity	NPC478078
0.7143	Intermediate Similarity	NPC171171
0.7137	Intermediate Similarity	NPC48317
0.7123	Intermediate Similarity	NPC154339
0.7123	Intermediate Similarity	NPC83111
0.7119	Intermediate Similarity	NPC240384
0.7119	Intermediate Similarity	NPC153400
0.7119	Intermediate Similarity	NPC285343
0.7109	Intermediate Similarity	NPC46580
0.7105	Intermediate Similarity	NPC150239
0.7104	Intermediate Similarity	NPC283117
0.7104	Intermediate Similarity	NPC88008
0.7103	Intermediate Similarity	NPC267343
0.7103	Intermediate Similarity	NPC326422
0.7101	Intermediate Similarity	NPC148889
0.7095	Intermediate Similarity	NPC314002
0.7094	Intermediate Similarity	NPC473186
0.7094	Intermediate Similarity	NPC132329
0.7089	Intermediate Similarity	NPC41679
0.7089	Intermediate Similarity	NPC138370
0.7085	Intermediate Similarity	NPC124086
0.7085	Intermediate Similarity	NPC11464
0.7082	Intermediate Similarity	NPC314222
0.7082	Intermediate Similarity	NPC196449
0.708	Intermediate Similarity	NPC469928
0.7078	Intermediate Similarity	NPC57398
0.7078	Intermediate Similarity	NPC328596
0.7078	Intermediate Similarity	NPC328318
0.7075	Intermediate Similarity	NPC321708
0.7075	Intermediate Similarity	NPC209917
0.7074	Intermediate Similarity	NPC60621
0.7073	Intermediate Similarity	NPC475746
0.7073	Intermediate Similarity	NPC258048
0.7072	Intermediate Similarity	NPC266249
0.7061	Intermediate Similarity	NPC168209
0.7061	Intermediate Similarity	NPC288987
0.7059	Intermediate Similarity	NPC472286
0.7059	Intermediate Similarity	NPC472287
0.7054	Intermediate Similarity	NPC87413
0.7051	Intermediate Similarity	NPC477041
0.7051	Intermediate Similarity	NPC474916
0.7051	Intermediate Similarity	NPC67288
0.7051	Intermediate Similarity	NPC477044
0.7051	Intermediate Similarity	NPC119006
0.7051	Intermediate Similarity	NPC306376
0.705	Intermediate Similarity	NPC474492
0.7048	Intermediate Similarity	NPC204717
0.7048	Intermediate Similarity	NPC246658
0.7048	Intermediate Similarity	NPC305984
0.7048	Intermediate Similarity	NPC469727
0.7047	Intermediate Similarity	NPC77101
0.704	Intermediate Similarity	NPC478158
0.7035	Intermediate Similarity	NPC474412
0.7035	Intermediate Similarity	NPC478157
0.7034	Intermediate Similarity	NPC475635
0.7034	Intermediate Similarity	NPC316411
0.7034	Intermediate Similarity	NPC39370
0.7026	Intermediate Similarity	NPC214142
0.7022	Intermediate Similarity	NPC471194
0.7022	Intermediate Similarity	NPC471193
0.7022	Intermediate Similarity	NPC153980
0.7022	Intermediate Similarity	NPC12344
0.7022	Intermediate Similarity	NPC6865
0.7021	Intermediate Similarity	NPC49547
0.7018	Intermediate Similarity	NPC477045
0.7018	Intermediate Similarity	NPC247803
0.7014	Intermediate Similarity	NPC477043
0.7014	Intermediate Similarity	NPC133003
0.7014	Intermediate Similarity	NPC470500
0.7014	Intermediate Similarity	NPC475070
0.7009	Intermediate Similarity	NPC123839
0.7005	Intermediate Similarity	NPC90229
0.7004	Intermediate Similarity	NPC3207
0.7	Intermediate Similarity	NPC473312
0.7	Intermediate Similarity	NPC171393
0.7	Intermediate Similarity	NPC295452
0.7	Intermediate Similarity	NPC152620
0.7	Intermediate Similarity	NPC220765
0.7	Intermediate Similarity	NPC476073
0.6996	Remote Similarity	NPC127677
0.6996	Remote Similarity	NPC304307
0.6996	Remote Similarity	NPC118559
0.6996	Remote Similarity	NPC261251
0.6996	Remote Similarity	NPC124920
0.6996	Remote Similarity	NPC34580
0.6996	Remote Similarity	NPC258062
0.6995	Remote Similarity	NPC221873
0.6992	Remote Similarity	NPC284888

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC14686 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	201
0.1-0.2	654
0.2-0.3	944
0.3-0.4	1197
0.4-0.5	2978
0.5-0.6	2353
0.6-0.7	793
0.7-0.8	41
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
0.7877	Intermediate Similarity	NPD6376	Discontinued
0.7717	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7679	Intermediate Similarity	NPD4845	Discontinued
0.7665	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7488	Intermediate Similarity	NPD5901	Discontinued
0.7478	Intermediate Similarity	NPD7603	Discontinued
0.7468	Intermediate Similarity	NPD6790	Phase 1
0.7407	Intermediate Similarity	NPD3947	Discontinued
0.738	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7364	Intermediate Similarity	NPD7470	Discontinued
0.7339	Intermediate Similarity	NPD4958	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD6242	Discontinued
0.7324	Intermediate Similarity	NPD7948	Phase 1
0.7306	Intermediate Similarity	NPD2510	Approved
0.7306	Intermediate Similarity	NPD2509	Approved
0.7302	Intermediate Similarity	NPD484	Approved
0.7248	Intermediate Similarity	NPD5426	Phase 3
0.719	Intermediate Similarity	NPD4948	Discontinued
0.7183	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7182	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD6999	Discontinued
0.7149	Intermediate Similarity	NPD3006	Discontinued
0.7137	Intermediate Similarity	NPD7203	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD6732	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD7001	Phase 3
0.713	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD3178	Discontinued
0.7098	Intermediate Similarity	NPD4852	Phase 2
0.7093	Intermediate Similarity	NPD4429	Discontinued
0.7089	Intermediate Similarity	NPD5592	Clinical (unspecified phase)
0.7085	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.708	Intermediate Similarity	NPD3393	Approved
0.708	Intermediate Similarity	NPD3394	Approved
0.708	Intermediate Similarity	NPD3389	Approved
0.7045	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7043	Intermediate Similarity	NPD6995	Phase 1
0.7014	Intermediate Similarity	NPD6987	Phase 1
0.7014	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD3914	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD7665	Phase 2
0.6996	Remote Similarity	NPD7666	Phase 3
0.6984	Remote Similarity	NPD7393	Clinical (unspecified phase)
0.697	Remote Similarity	NPD8356	Approved
0.6967	Remote Similarity	NPD3607	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD5065	Approved
0.6957	Remote Similarity	NPD1996	Discontinued
0.6955	Remote Similarity	NPD4511	Phase 1
0.6949	Remote Similarity	NPD3746	Discontinued
0.6948	Remote Similarity	NPD6530	Approved
0.6948	Remote Similarity	NPD6531	Approved
0.6947	Remote Similarity	NPD8093	Discontinued
0.6947	Remote Similarity	NPD5866	Approved
0.6942	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD6137	Clinical (unspecified phase)
0.694	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD5022	Discontinued
0.6933	Remote Similarity	NPD7853	Phase 2
0.6926	Remote Similarity	NPD4558	Phase 2
0.6923	Remote Similarity	NPD7994	Phase 2
0.6923	Remote Similarity	NPD8430	Approved
0.6923	Remote Similarity	NPD3259	Approved
0.692	Remote Similarity	NPD4373	Phase 2
0.6917	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6916	Remote Similarity	NPD8094	Discontinued
0.6906	Remote Similarity	NPD3507	Phase 2
0.6906	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD6567	Clinical (unspecified phase)
0.69	Remote Similarity	NPD3326	Clinical (unspecified phase)
0.69	Remote Similarity	NPD2813	Phase 3
0.69	Remote Similarity	NPD8000	Clinical (unspecified phase)
0.69	Remote Similarity	NPD2812	Clinical (unspecified phase)
0.69	Remote Similarity	NPD7823	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD4922	Phase 2
0.6894	Remote Similarity	NPD8349	Phase 1
0.6893	Remote Similarity	NPD1575	Approved
0.6893	Remote Similarity	NPD1573	Approved
0.6886	Remote Similarity	NPD5293	Phase 2
0.6881	Remote Similarity	NPD4848	Phase 1
0.6872	Remote Similarity	NPD2411	Approved
0.6872	Remote Similarity	NPD8097	Phase 3
0.6872	Remote Similarity	NPD8096	Phase 3
0.6872	Remote Similarity	NPD3959	Phase 2
0.6872	Remote Similarity	NPD3962	Phase 2
0.687	Remote Similarity	NPD7878	Phase 2
0.6864	Remote Similarity	NPD7621	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD4952	Phase 3
0.6856	Remote Similarity	NPD5612	Discontinued
0.6844	Remote Similarity	NPD2916	Discontinued
0.6835	Remote Similarity	NPD7688	Phase 1
0.6833	Remote Similarity	NPD8248	Clinical (unspecified phase)
0.683	Remote Similarity	NPD2008	Discontinued
0.6829	Remote Similarity	NPD3809	Discontinued
0.6829	Remote Similarity	NPD5482	Discontinued
0.6825	Remote Similarity	NPD1643	Phase 3
0.6824	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD3263	Phase 3
0.6808	Remote Similarity	NPD2091	Phase 2
0.6808	Remote Similarity	NPD2096	Phase 2
0.6808	Remote Similarity	NPD7181	Phase 3
0.6807	Remote Similarity	NPD4885	Approved
0.6807	Remote Similarity	NPD3960	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD5017	Discontinued
0.68	Remote Similarity	NPD8091	Phase 3
0.68	Remote Similarity	NPD8493	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD3917	Approved
0.6798	Remote Similarity	NPD3918	Approved
0.6798	Remote Similarity	NPD6456	Discontinued
0.6798	Remote Similarity	NPD3916	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD1038	Approved
0.6781	Remote Similarity	NPD4923	Phase 1
0.678	Remote Similarity	NPD6165	Phase 2
0.678	Remote Similarity	NPD6164	Phase 2
0.6776	Remote Similarity	NPD6610	Clinical (unspecified phase)
0.6773	Remote Similarity	NPD3801	Clinical (unspecified phase)
0.6771	Remote Similarity	NPD6975	Discontinued
0.6769	Remote Similarity	NPD3243	Approved
0.6762	Remote Similarity	NPD749	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD2095	Phase 2
0.6761	Remote Similarity	NPD2092	Phase 2
0.6761	Remote Similarity	NPD2094	Phase 2
0.6761	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD7619	Phase 3
0.6758	Remote Similarity	NPD7944	Discontinued
0.6758	Remote Similarity	NPD7618	Phase 3
0.6758	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6754	Remote Similarity	NPD3915	Approved
0.6753	Remote Similarity	NPD6710	Phase 3
0.6745	Remote Similarity	NPD6595	Phase 3
0.6743	Remote Similarity	NPD6665	Discontinued
0.6741	Remote Similarity	NPD6176	Phase 1
0.674	Remote Similarity	NPD1600	Suspended
0.6739	Remote Similarity	NPD3757	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD8289	Discontinued
0.6725	Remote Similarity	NPD7594	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD3330	Phase 1
0.6714	Remote Similarity	NPD482	Approved
0.6714	Remote Similarity	NPD1783	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.6712	Remote Similarity	NPD802	Phase 2
0.6711	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.671	Remote Similarity	NPD6733	Discontinued
0.6709	Remote Similarity	NPD8292	Phase 2
0.6705	Remote Similarity	NPD7689	Approved
0.6699	Remote Similarity	NPD1631	Approved
0.6697	Remote Similarity	NPD6664	Approved
0.6696	Remote Similarity	NPD2442	Approved
0.6696	Remote Similarity	NPD2879	Approved
0.6696	Remote Similarity	NPD2881	Approved
0.6696	Remote Similarity	NPD3794	Approved
0.6696	Remote Similarity	NPD3795	Approved
0.6696	Remote Similarity	NPD2443	Approved
0.6691	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6681	Remote Similarity	NPD7010	Phase 3
0.6667	Remote Similarity	NPD4426	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD5151	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4987	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD2408	Discontinued
0.6667	Remote Similarity	NPD7180	Phase 3
0.6667	Remote Similarity	NPD750	Phase 2
0.6667	Remote Similarity	NPD5937	Approved
0.6654	Remote Similarity	NPD7924	Phase 2
0.6654	Remote Similarity	NPD7925	Phase 2
0.6653	Remote Similarity	NPD5479	Discontinued
0.6651	Remote Similarity	NPD1096	Discontinued
0.6638	Remote Similarity	NPD7809	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD6803	Clinical (unspecified phase)
0.6638	Remote Similarity	NPD3392	Approved
0.6636	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD3986	Discontinued
0.6624	Remote Similarity	NPD6247	Clinical (unspecified phase)
0.6624	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6624	Remote Similarity	NPD3258	Approved
0.6624	Remote Similarity	NPD7269	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD5867	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD5532	Phase 2
0.6614	Remote Similarity	NPD4926	Clinical (unspecified phase)
0.661	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD5475	Discontinued
0.6607	Remote Similarity	NPD5497	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD2781	Approved
0.6592	Remote Similarity	NPD7204	Clinical (unspecified phase)
0.6589	Remote Similarity	NPD5445	Approved
0.6587	Remote Similarity	NPD2782	Approved
0.6587	Remote Similarity	NPD2780	Approved
0.6583	Remote Similarity	NPD1659	Phase 1
0.6581	Remote Similarity	NPD3354	Phase 2
0.658	Remote Similarity	NPD7069	Discontinued
0.6579	Remote Similarity	NPD3905	Phase 3
0.6574	Remote Similarity	NPD6724	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD8016	Phase 3
0.657	Remote Similarity	NPD4850	Phase 1
0.6567	Remote Similarity	NPD2412	Clinical (unspecified phase)
0.6567	Remote Similarity	NPD4851	Clinical (unspecified phase)
0.6567	Remote Similarity	NPD8160	Phase 2
0.6564	Remote Similarity	NPD8098	Approved
0.6562	Remote Similarity	NPD3825	Phase 3
0.6562	Remote Similarity	NPD3814	Phase 1

Structure

NPC14686 OpenBabel07101718332D 28 31 0 0 0 0 0 0 0 0999 V2000 0.4996 1.9069 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 -5.5154 -1.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6494 0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3815 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5154 0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4894 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9016 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6789 -2.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6807 3.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6494 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3815 0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7834 -1.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -0.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 -1.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 -0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5608 0.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2226 -1.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 -2.4317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 2.8205 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 1.6752 3.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2475 0.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 0.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5534 -2.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 5 1 0 0 0 0 3 12 2 0 0 0 0 4 6 2 0 0 0 0 4 12 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 23 1 0 0 0 0 9 15 2 0 0 0 0 9 22 1 0 0 0 0 10 13 2 0 0 0 0 10 24 1 0 0 0 0 11 23 1 0 0 0 0 11 25 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 20 27 2 0 0 0 0 21 28 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11639449
ChEMBL	CHEMBL463286
ZINC

Physicochemical Properties

Molecular Weight:	377.14
ALogP:	-1.627
MLogP:	3
XLogP:	1.18
# Rotatable Bonds:	8
Polar Surface Area:	95.4
# H-Bond Aceptor:	6
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	28

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