NPASS Natural Product

Natural Product: NPC474595

Natural Product ID:	NPC474595
Common Name:	7-Deoxyisonarciclasine
IUPAC Name:	(2S,3R,4S)-2,3,4-trihydroxy-2,3,4,5-tetrahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Synonyms:	7-Deoxyisonarciclasine
Molecular Formula:	C14H13NO6
Standard InCHIKey:	WUIRXRZETQZVRK-CKLFPEKLSA-N
Standard InCHI:	InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h2-3,8,12-13,16-18H,1,4H2,(H,15,19)/t8-,12+,13-/m0/s1
Canonical SMILES:	O[C@H]1Cc2c([C@@H]([C@@H]1O)O)nc(c1c2cc2OCOc2c1)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
NPO33168	amaryllidaceae isoquinoline	Species	Amaryllidaceae	Eukaryota				PMID[1336040]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Organism	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT4329	Organism	Rift Valley fever virus	Rift Valley fever virus	IC50	=	10	ug/ml	25356913
NPT4328	Organism	Dengue virus type 4	Dengue virus 4	IC50	=	8.5	ug/ml	24479418
NPT341	Organism	Punta Toro virus	Punta Toro virus	IC50	=	7.2	ug/ml	12467611
NPT4327	Organism	Yellow fever virus	Yellow fever virus	IC50	=	5.7	ug/ml	DrugMatrix in vivo data: Hematology

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 NPC474595 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	382
0.1-0.2	1754
0.2-0.3	7166
0.3-0.4	5592
0.4-0.5	7362
0.5-0.6	6968
0.6-0.7	1486
0.7-0.8	174
0.8-0.85	3
0.85-0.9	1
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9579	High Similarity	NPC474594
0.885	High Similarity	NPC148409
0.8276	Intermediate Similarity	NPC203168
0.8191	Intermediate Similarity	NPC66815
0.8177	Intermediate Similarity	NPC219664
0.7917	Intermediate Similarity	NPC206201
0.791	Intermediate Similarity	NPC234197
0.7907	Intermediate Similarity	NPC476997
0.7907	Intermediate Similarity	NPC476994
0.7897	Intermediate Similarity	NPC200888
0.787	Intermediate Similarity	NPC476998
0.787	Intermediate Similarity	NPC476996
0.7868	Intermediate Similarity	NPC469390
0.7846	Intermediate Similarity	NPC204385
0.7843	Intermediate Similarity	NPC137929
0.7843	Intermediate Similarity	NPC164374
0.7822	Intermediate Similarity	NPC477019
0.782	Intermediate Similarity	NPC204446
0.7757	Intermediate Similarity	NPC118121
0.7745	Intermediate Similarity	NPC135887
0.7745	Intermediate Similarity	NPC199277
0.7744	Intermediate Similarity	NPC62069
0.7738	Intermediate Similarity	NPC476995
0.7736	Intermediate Similarity	NPC473822
0.7718	Intermediate Similarity	NPC304183
0.77	Intermediate Similarity	NPC79293
0.77	Intermediate Similarity	NPC279401
0.7681	Intermediate Similarity	NPC313189
0.7681	Intermediate Similarity	NPC135549
0.7665	Intermediate Similarity	NPC61350
0.7632	Intermediate Similarity	NPC54125
0.7632	Intermediate Similarity	NPC89199
0.7593	Intermediate Similarity	NPC122463
0.7583	Intermediate Similarity	NPC53069
0.7583	Intermediate Similarity	NPC96405
0.7583	Intermediate Similarity	NPC171409
0.7583	Intermediate Similarity	NPC296482
0.7583	Intermediate Similarity	NPC202768
0.7581	Intermediate Similarity	NPC174049
0.7571	Intermediate Similarity	NPC188420
0.7562	Intermediate Similarity	NPC133140
0.7562	Intermediate Similarity	NPC195268
0.7552	Intermediate Similarity	NPC304846
0.7525	Intermediate Similarity	NPC42591
0.7512	Intermediate Similarity	NPC235076
0.75	Intermediate Similarity	NPC202605
0.75	Intermediate Similarity	NPC251160
0.75	Intermediate Similarity	NPC112206
0.7488	Intermediate Similarity	NPC173080
0.7474	Intermediate Similarity	NPC312872
0.7465	Intermediate Similarity	NPC149471
0.7465	Intermediate Similarity	NPC271215
0.745	Intermediate Similarity	NPC66083
0.7432	Intermediate Similarity	NPC476999
0.7421	Intermediate Similarity	NPC69360
0.7415	Intermediate Similarity	NPC224928
0.7407	Intermediate Similarity	NPC23614
0.7407	Intermediate Similarity	NPC100079
0.7401	Intermediate Similarity	NPC210296
0.7398	Intermediate Similarity	NPC289743
0.7398	Intermediate Similarity	NPC110374
0.7389	Intermediate Similarity	NPC280964
0.7389	Intermediate Similarity	NPC114335
0.7389	Intermediate Similarity	NPC141915
0.7373	Intermediate Similarity	NPC46451
0.7371	Intermediate Similarity	NPC183537
0.7371	Intermediate Similarity	NPC77878
0.7368	Intermediate Similarity	NPC469440
0.7366	Intermediate Similarity	NPC255800
0.7366	Intermediate Similarity	NPC96584
0.736	Intermediate Similarity	NPC187678
0.7358	Intermediate Similarity	NPC469589
0.7354	Intermediate Similarity	NPC201508
0.7344	Intermediate Similarity	NPC101312
0.7343	Intermediate Similarity	NPC476582
0.7343	Intermediate Similarity	NPC476578
0.7343	Intermediate Similarity	NPC4071
0.7327	Intermediate Similarity	NPC469594
0.7323	Intermediate Similarity	NPC1291
0.7323	Intermediate Similarity	NPC115343
0.7299	Intermediate Similarity	NPC471736
0.7299	Intermediate Similarity	NPC472111
0.7281	Intermediate Similarity	NPC314552
0.7273	Intermediate Similarity	NPC280272
0.7273	Intermediate Similarity	NPC31930
0.7261	Intermediate Similarity	NPC160100
0.726	Intermediate Similarity	NPC128823
0.7259	Intermediate Similarity	NPC194724
0.7256	Intermediate Similarity	NPC316981
0.7251	Intermediate Similarity	NPC16452
0.7251	Intermediate Similarity	NPC36229
0.7251	Intermediate Similarity	NPC476581
0.7245	Intermediate Similarity	NPC182257
0.7236	Intermediate Similarity	NPC478032
0.7234	Intermediate Similarity	NPC153769
0.7222	Intermediate Similarity	NPC2314
0.7222	Intermediate Similarity	NPC266931
0.7222	Intermediate Similarity	NPC471080
0.7222	Intermediate Similarity	NPC469592
0.7214	Intermediate Similarity	NPC474607
0.7212	Intermediate Similarity	NPC473182
0.721	Intermediate Similarity	NPC173250
0.7208	Intermediate Similarity	NPC311991
0.7204	Intermediate Similarity	NPC223427
0.72	Intermediate Similarity	NPC15919
0.7198	Intermediate Similarity	NPC58209
0.7198	Intermediate Similarity	NPC162653
0.7186	Intermediate Similarity	NPC208364
0.7183	Intermediate Similarity	NPC193777
0.7181	Intermediate Similarity	NPC277351
0.7178	Intermediate Similarity	NPC248642
0.7178	Intermediate Similarity	NPC474650
0.7165	Intermediate Similarity	NPC24954
0.7156	Intermediate Similarity	NPC288349
0.7155	Intermediate Similarity	NPC124313
0.7155	Intermediate Similarity	NPC284141
0.7149	Intermediate Similarity	NPC108342
0.7143	Intermediate Similarity	NPC207283
0.7143	Intermediate Similarity	NPC156576
0.7143	Intermediate Similarity	NPC84164
0.7143	Intermediate Similarity	NPC162530
0.7136	Intermediate Similarity	NPC474145
0.7136	Intermediate Similarity	NPC475841
0.7136	Intermediate Similarity	NPC283152
0.713	Intermediate Similarity	NPC168922
0.7129	Intermediate Similarity	NPC320394
0.7123	Intermediate Similarity	NPC473513
0.7123	Intermediate Similarity	NPC159101
0.7122	Intermediate Similarity	NPC112676
0.7121	Intermediate Similarity	NPC474475
0.7118	Intermediate Similarity	NPC182907
0.7118	Intermediate Similarity	NPC189903
0.7112	Intermediate Similarity	NPC188400
0.7108	Intermediate Similarity	NPC9867
0.7107	Intermediate Similarity	NPC100566
0.7107	Intermediate Similarity	NPC190332
0.7107	Intermediate Similarity	NPC181653
0.71	Intermediate Similarity	NPC472168
0.71	Intermediate Similarity	NPC99891
0.7089	Intermediate Similarity	NPC329708
0.7089	Intermediate Similarity	NPC118832
0.7089	Intermediate Similarity	NPC165349
0.7089	Intermediate Similarity	NPC47059
0.7089	Intermediate Similarity	NPC274291
0.7089	Intermediate Similarity	NPC264166
0.7087	Intermediate Similarity	NPC166722
0.7085	Intermediate Similarity	NPC477640
0.7085	Intermediate Similarity	NPC470739
0.7085	Intermediate Similarity	NPC225597
0.7085	Intermediate Similarity	NPC288943
0.7079	Intermediate Similarity	NPC126284
0.7079	Intermediate Similarity	NPC475794
0.7073	Intermediate Similarity	NPC224293
0.7073	Intermediate Similarity	NPC214116
0.7071	Intermediate Similarity	NPC58766
0.7071	Intermediate Similarity	NPC475686
0.7067	Intermediate Similarity	NPC29472
0.7043	Intermediate Similarity	NPC473183
0.7039	Intermediate Similarity	NPC15406
0.7039	Intermediate Similarity	NPC296742
0.7037	Intermediate Similarity	NPC209769
0.7033	Intermediate Similarity	NPC473053
0.7031	Intermediate Similarity	NPC34770
0.7029	Intermediate Similarity	NPC120513
0.7026	Intermediate Similarity	NPC118511
0.7026	Intermediate Similarity	NPC217554
0.7024	Intermediate Similarity	NPC69213
0.7021	Intermediate Similarity	NPC1608
0.7021	Intermediate Similarity	NPC161292
0.7018	Intermediate Similarity	NPC48353
0.7014	Intermediate Similarity	NPC280714
0.701	Intermediate Similarity	NPC476575
0.7005	Intermediate Similarity	NPC290689
0.7004	Intermediate Similarity	NPC278525
0.7004	Intermediate Similarity	NPC469792
0.7	Intermediate Similarity	NPC70956
0.7	Intermediate Similarity	NPC243834
0.7	Intermediate Similarity	NPC8022
0.7	Intermediate Similarity	NPC470799
0.6991	Remote Similarity	NPC308392
0.6991	Remote Similarity	NPC470931
0.6987	Remote Similarity	NPC22481
0.6986	Remote Similarity	NPC131017
0.6985	Remote Similarity	NPC290759
0.6985	Remote Similarity	NPC82533
0.6985	Remote Similarity	NPC266176
0.6985	Remote Similarity	NPC158148
0.6983	Remote Similarity	NPC41501
0.6977	Remote Similarity	NPC476106
0.6974	Remote Similarity	NPC217176
0.6971	Remote Similarity	NPC129897
0.6957	Remote Similarity	NPC474904
0.6957	Remote Similarity	NPC473184
0.6954	Remote Similarity	NPC320104
0.6953	Remote Similarity	NPC49672
0.6951	Remote Similarity	NPC54066
0.695	Remote Similarity	NPC474953
0.6949	Remote Similarity	NPC472068
0.6947	Remote Similarity	NPC202503
0.6946	Remote Similarity	NPC294790

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC474595 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	678
0.2-0.3	1022
0.3-0.4	1851
0.4-0.5	2840
0.5-0.6	1970
0.6-0.7	512
0.7-0.8	45
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
0.7906	Intermediate Similarity	NPD3920	Phase 2
0.763	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD4502	Phase 2
0.7583	Intermediate Similarity	NPD3815	Phase 1
0.7583	Intermediate Similarity	NPD3816	Phase 1
0.7562	Intermediate Similarity	NPD3921	Approved
0.7562	Intermediate Similarity	NPD3923	Approved
0.7562	Intermediate Similarity	NPD3924	Approved
0.7562	Intermediate Similarity	NPD3922	Approved
0.7522	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7475	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD6494	Phase 2
0.7373	Intermediate Similarity	NPD3763	Approved
0.7362	Intermediate Similarity	NPD7169	Suspended
0.7346	Intermediate Similarity	NPD7222	Phase 2
0.7311	Intermediate Similarity	NPD5658	Approved
0.7281	Intermediate Similarity	NPD5164	Discontinued
0.7248	Intermediate Similarity	NPD8109	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD5903	Approved
0.7189	Intermediate Similarity	NPD5902	Approved
0.7183	Intermediate Similarity	NPD6290	Phase 2
0.7183	Intermediate Similarity	NPD7453	Approved
0.7183	Intermediate Similarity	NPD7452	Approved
0.7177	Intermediate Similarity	NPD2175	Phase 3
0.7177	Intermediate Similarity	NPD2177	Approved
0.7177	Intermediate Similarity	NPD2176	Approved
0.7149	Intermediate Similarity	NPD6773	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD32	Approved
0.7089	Intermediate Similarity	NPD31	Approved
0.7089	Intermediate Similarity	NPD4122	Approved
0.7089	Intermediate Similarity	NPD4039	Approved
0.7089	Intermediate Similarity	NPD4037	Approved
0.7089	Intermediate Similarity	NPD4035	Approved
0.7089	Intermediate Similarity	NPD4033	Approved
0.7089	Intermediate Similarity	NPD4036	Approved
0.7089	Intermediate Similarity	NPD4034	Approved
0.7089	Intermediate Similarity	NPD4038	Approved
0.7078	Intermediate Similarity	NPD5612	Discontinued
0.7067	Intermediate Similarity	NPD6553	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD4305	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD5936	Approved
0.7051	Intermediate Similarity	NPD5939	Approved
0.7033	Intermediate Similarity	NPD6550	Discontinued
0.7033	Intermediate Similarity	NPD5582	Discontinued
0.7033	Intermediate Similarity	NPD5512	Phase 3
0.6987	Remote Similarity	NPD7558	Phase 2
0.6986	Remote Similarity	NPD6590	Discontinued
0.6983	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD3003	Approved
0.6976	Remote Similarity	NPD5256	Discontinued
0.697	Remote Similarity	NPD5805	Approved
0.6951	Remote Similarity	NPD5070	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD5429	Discontinued
0.6942	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD6517	Phase 3
0.6905	Remote Similarity	NPD4418	Discontinued
0.689	Remote Similarity	NPD6569	Phase 2
0.6888	Remote Similarity	NPD8244	Phase 2
0.6875	Remote Similarity	NPD5930	Phase 3
0.687	Remote Similarity	NPD4885	Approved
0.6863	Remote Similarity	NPD4204	Approved
0.6863	Remote Similarity	NPD4203	Approved
0.6854	Remote Similarity	NPD1768	Approved
0.684	Remote Similarity	NPD1229	Phase 2
0.6825	Remote Similarity	NPD6491	Clinical (unspecified phase)
0.6825	Remote Similarity	NPD6861	Clinical (unspecified phase)
0.682	Remote Similarity	NPD5530	Phase 1
0.6814	Remote Similarity	NPD6736	Discontinued
0.6814	Remote Similarity	NPD1954	Phase 1
0.6806	Remote Similarity	NPD6669	Phase 2
0.68	Remote Similarity	NPD4724	Clinical (unspecified phase)
0.6787	Remote Similarity	NPD7069	Discontinued
0.6786	Remote Similarity	NPD7395	Discontinued
0.678	Remote Similarity	NPD7414	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD6344	Clinical (unspecified phase)
0.6762	Remote Similarity	NPD7955	Approved
0.6762	Remote Similarity	NPD7956	Approved
0.6761	Remote Similarity	NPD6988	Phase 1
0.6756	Remote Similarity	NPD7194	Discontinued
0.6756	Remote Similarity	NPD3875	Discontinued
0.6742	Remote Similarity	NPD4131	Phase 3
0.6736	Remote Similarity	NPD4926	Clinical (unspecified phase)
0.6733	Remote Similarity	NPD677	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD3263	Phase 3
0.6712	Remote Similarity	NPD4927	Discontinued
0.6711	Remote Similarity	NPD6985	Discontinued
0.6709	Remote Similarity	NPD4875	Phase 3
0.6709	Remote Similarity	NPD4876	Phase 3
0.6699	Remote Similarity	NPD2383	Phase 1
0.6698	Remote Similarity	NPD3837	Clinical (unspecified phase)
0.6698	Remote Similarity	NPD4551	Phase 2
0.6698	Remote Similarity	NPD4118	Clinical (unspecified phase)
0.6695	Remote Similarity	NPD4080	Discontinued
0.6694	Remote Similarity	NPD7859	Phase 2
0.6683	Remote Similarity	NPD4083	Discontinued
0.6667	Remote Similarity	NPD4005	Discontinued
0.6667	Remote Similarity	NPD1856	Discontinued
0.6667	Remote Similarity	NPD6964	Approved
0.6667	Remote Similarity	NPD3842	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6963	Approved
0.6667	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6651	Remote Similarity	NPD2727	Phase 2
0.6639	Remote Similarity	NPD6716	Phase 1
0.6639	Remote Similarity	NPD1483	Discontinued
0.6636	Remote Similarity	NPD1392	Approved
0.6635	Remote Similarity	NPD2843	Phase 2
0.6635	Remote Similarity	NPD2845	Phase 2
0.6634	Remote Similarity	NPD6159	Phase 2
0.6634	Remote Similarity	NPD6641	Approved
0.6634	Remote Similarity	NPD6642	Approved
0.6627	Remote Similarity	NPD7803	Approved
0.662	Remote Similarity	NPD1038	Approved
0.6618	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6616	Remote Similarity	NPD2977	Approved
0.6616	Remote Similarity	NPD2978	Approved
0.6606	Remote Similarity	NPD6477	Clinical (unspecified phase)
0.66	Remote Similarity	NPD5604	Discontinued
0.6599	Remote Similarity	NPD7708	Approved
0.6597	Remote Similarity	NPD7417	Discontinued
0.659	Remote Similarity	NPD6219	Discontinued
0.658	Remote Similarity	NPD7675	Phase 3
0.658	Remote Similarity	NPD7674	Phase 3
0.658	Remote Similarity	NPD7676	Clinical (unspecified phase)
0.6578	Remote Similarity	NPD4897	Phase 2
0.6578	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6574	Remote Similarity	NPD6877	Discontinued
0.6574	Remote Similarity	NPD7889	Clinical (unspecified phase)
0.657	Remote Similarity	NPD7007	Discovery
0.6567	Remote Similarity	NPD7589	Clinical (unspecified phase)
0.655	Remote Similarity	NPD5507	Approved
0.655	Remote Similarity	NPD6298	Discontinued
0.655	Remote Similarity	NPD5506	Approved
0.6548	Remote Similarity	NPD8364	Approved
0.6548	Remote Similarity	NPD8363	Approved
0.6543	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.6542	Remote Similarity	NPD6361	Phase 2
0.654	Remote Similarity	NPD4663	Approved
0.6538	Remote Similarity	NPD3386	Phase 2
0.6538	Remote Similarity	NPD6962	Phase 2
0.6537	Remote Similarity	NPD7719	Discontinued
0.6537	Remote Similarity	NPD1923	Clinical (unspecified phase)
0.6532	Remote Similarity	NPD5863	Clinical (unspecified phase)
0.6532	Remote Similarity	NPD7672	Approved
0.6532	Remote Similarity	NPD7671	Approved
0.6524	Remote Similarity	NPD4889	Approved
0.6522	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD1503	Clinical (unspecified phase)
0.6518	Remote Similarity	NPD6220	Phase 3
0.6518	Remote Similarity	NPD5416	Discontinued
0.6512	Remote Similarity	NPD3324	Clinical (unspecified phase)
0.651	Remote Similarity	NPD3525	Discontinued
0.6509	Remote Similarity	NPD7243	Clinical (unspecified phase)
0.6509	Remote Similarity	NPD7906	Approved
0.6506	Remote Similarity	NPD7862	Clinical (unspecified phase)
0.6504	Remote Similarity	NPD4667	Clinical (unspecified phase)
0.6504	Remote Similarity	NPD8442	Discontinued
0.6502	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.65	Remote Similarity	NPD2358	Clinical (unspecified phase)
0.65	Remote Similarity	NPD5833	Phase 1
0.65	Remote Similarity	NPD6991	Approved
0.6496	Remote Similarity	NPD8365	Clinical (unspecified phase)
0.6493	Remote Similarity	NPD2917	Approved
0.6488	Remote Similarity	NPD7418	Discontinued
0.6486	Remote Similarity	NPD7263	Phase 2
0.6485	Remote Similarity	NPD5905	Phase 1
0.6482	Remote Similarity	NPD9383	Approved
0.6482	Remote Similarity	NPD9382	Approved
0.6479	Remote Similarity	NPD8063	Discontinued
0.6476	Remote Similarity	NPD4577	Approved
0.6476	Remote Similarity	NPD4578	Approved
0.6475	Remote Similarity	NPD6243	Phase 3
0.6475	Remote Similarity	NPD6244	Phase 3
0.6471	Remote Similarity	NPD7684	Approved
0.6471	Remote Similarity	NPD7682	Approved
0.6471	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD7474	Suspended
0.6468	Remote Similarity	NPD1505	Phase 2
0.6468	Remote Similarity	NPD1684	Approved
0.6468	Remote Similarity	NPD1685	Approved
0.6468	Remote Similarity	NPD4052	Clinical (unspecified phase)
0.6466	Remote Similarity	NPD3925	Approved
0.6466	Remote Similarity	NPD6246	Approved
0.6465	Remote Similarity	NPD1304	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD2899	Discontinued
0.6463	Remote Similarity	NPD6974	Phase 3
0.6462	Remote Similarity	NPD1033	Clinical (unspecified phase)
0.6462	Remote Similarity	NPD1034	Phase 3
0.6459	Remote Similarity	NPD3037	Phase 1
0.6453	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD8091	Phase 3
0.645	Remote Similarity	NPD6818	Clinical (unspecified phase)
0.6446	Remote Similarity	NPD6230	Discontinued
0.6444	Remote Similarity	NPD5067	Phase 2
0.6444	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.6444	Remote Similarity	NPD5066	Phase 2
0.6444	Remote Similarity	NPD7729	Clinical (unspecified phase)
0.6441	Remote Similarity	NPD7797	Approved
0.6441	Remote Similarity	NPD7796	Approved
0.6438	Remote Similarity	NPD4396	Clinical (unspecified phase)

Structure

NPC474595 OpenBabel07101718282D 21 24 0 0 1 0 0 0 0 0999 V2000 0.8660 -2.5000 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 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0029 -0.5000 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 0.8660 -1.5000 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 0.0000 -3.0000 0.0000 C 0 0 1 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 3.4641 -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 -0.8660 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 1 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 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 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 0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -1.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 0.3090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 11 2 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 6 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 1 0 0 0 13 18 1 1 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	454233
ChEMBL	CHEMBL476487
ZINC

Physicochemical Properties

Molecular Weight:	291.07
ALogP:	-2.2327
MLogP:	2.23
XLogP:	-0.239
# Rotatable Bonds:	4
Polar Surface Area:	112.27
# H-Bond Aceptor:	4
# H-Bond Donor:	4
# Rings:	4
# Heavy Atoms:	21

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