NPASS Natural Product

Natural Product: NPC475713

Natural Product ID:	NPC475713
Common Name:	Periglaucine A
IUPAC Name:
Synonyms:
Molecular Formula:	C20H23NO6
Standard InCHIKey:	QJDYNQYLCIPODD-SWBPCFCJSA-N
Standard InCHI:	InChI=1S/C20H23NO6/c1-21-5-4-18-8-13(22)17(23-2)20(24-3)19(18,21)9-16(27-20)11-6-14-15(7-12(11)18)26-10-25-14/h6-7,16-17H,4-5,8-10H2,1-3H3/t16-,17-,18+,19+,20-/m1/s1
Canonical SMILES:	CO[C@@H]1C(=O)C[C@@]23[C@@]4([C@]1(OC)O[C@H](C4)c1c3cc3c(c1)OCO3)N(C)CC2
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
NPO1525	Pericampylus glaucus	Species	Menispermaceae	Eukaryota				PMID[18396905]

Biological Activity

Activity Type	# Activity
EC50	1
IC50	2
Others	4

Activity Type	# Activity
Cell Line	1
Organism	3
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Ratio CC50/IC50	<	1		PubChem BioAssay data set
NPT1452	Cell Line	C8166	Homo sapiens	CC50	>	536000	nM	23398362
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	IC50	=	3410000	nM	22931300
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	=	204000	nM	10411577
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	IC50	=	1040000	nM	22939606
NPT2	Others	Unspecified		Ratio CC50/IC50	=	2.85		22963193
NPT2	Others	Unspecified		Ratio CC50/EC50	=	4.03		22809409

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 NPC475713 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	254
0.1-0.2	1211
0.2-0.3	2739
0.3-0.4	7571
0.4-0.5	6263
0.5-0.6	8970
0.6-0.7	3648
0.7-0.8	223
0.8-0.85	6
0.85-0.9	1
0.9-0.95	0
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC474432
0.9831	High Similarity	NPC474427
0.9611	High Similarity	NPC475747
0.8876	High Similarity	NPC149285
0.8298	Intermediate Similarity	NPC196231
0.822	Intermediate Similarity	NPC66909
0.8216	Intermediate Similarity	NPC115906
0.8191	Intermediate Similarity	NPC141440
0.8162	Intermediate Similarity	NPC99179
0.8045	Intermediate Similarity	NPC475780
0.799	Intermediate Similarity	NPC293624
0.7989	Intermediate Similarity	NPC214629
0.7959	Intermediate Similarity	NPC151470
0.7959	Intermediate Similarity	NPC64576
0.7959	Intermediate Similarity	NPC201055
0.7959	Intermediate Similarity	NPC254045
0.7956	Intermediate Similarity	NPC218614
0.7826	Intermediate Similarity	NPC252960
0.7824	Intermediate Similarity	NPC63152
0.7817	Intermediate Similarity	NPC120671
0.7817	Intermediate Similarity	NPC314100
0.7817	Intermediate Similarity	NPC226652
0.7817	Intermediate Similarity	NPC72788
0.7742	Intermediate Similarity	NPC474708
0.7732	Intermediate Similarity	NPC319549
0.7716	Intermediate Similarity	NPC73020
0.7716	Intermediate Similarity	NPC215098
0.7716	Intermediate Similarity	NPC124302
0.7716	Intermediate Similarity	NPC46744
0.7716	Intermediate Similarity	NPC14622
0.7716	Intermediate Similarity	NPC70290
0.7704	Intermediate Similarity	NPC33256
0.7701	Intermediate Similarity	NPC65403
0.7688	Intermediate Similarity	NPC475845
0.7682	Intermediate Similarity	NPC477393
0.7673	Intermediate Similarity	NPC11708
0.7672	Intermediate Similarity	NPC35680
0.765	Intermediate Similarity	NPC2173
0.765	Intermediate Similarity	NPC202771
0.765	Intermediate Similarity	NPC328700
0.765	Intermediate Similarity	NPC119818
0.7634	Intermediate Similarity	NPC474324
0.7634	Intermediate Similarity	NPC57812
0.7629	Intermediate Similarity	NPC237579
0.7624	Intermediate Similarity	NPC80472
0.7614	Intermediate Similarity	NPC470646
0.7613	Intermediate Similarity	NPC477396
0.7602	Intermediate Similarity	NPC94499
0.7579	Intermediate Similarity	NPC474470
0.7577	Intermediate Similarity	NPC230098
0.7565	Intermediate Similarity	NPC475981
0.7565	Intermediate Similarity	NPC474746
0.7565	Intermediate Similarity	NPC156576
0.7562	Intermediate Similarity	NPC286135
0.7553	Intermediate Similarity	NPC311991
0.754	Intermediate Similarity	NPC210918
0.7539	Intermediate Similarity	NPC118633
0.7539	Intermediate Similarity	NPC148693
0.7539	Intermediate Similarity	NPC294790
0.7527	Intermediate Similarity	NPC247972
0.7527	Intermediate Similarity	NPC180306
0.7525	Intermediate Similarity	NPC174783
0.7513	Intermediate Similarity	NPC477640
0.7513	Intermediate Similarity	NPC225597
0.7513	Intermediate Similarity	NPC248642
0.7513	Intermediate Similarity	NPC470739
0.7512	Intermediate Similarity	NPC311781
0.75	Intermediate Similarity	NPC82533
0.75	Intermediate Similarity	NPC158148
0.75	Intermediate Similarity	NPC474745
0.75	Intermediate Similarity	NPC290759
0.75	Intermediate Similarity	NPC266176
0.7461	Intermediate Similarity	NPC298339
0.746	Intermediate Similarity	NPC474475
0.7459	Intermediate Similarity	NPC4304
0.7451	Intermediate Similarity	NPC476500
0.7448	Intermediate Similarity	NPC15919
0.7448	Intermediate Similarity	NPC474325
0.7447	Intermediate Similarity	NPC247389
0.7435	Intermediate Similarity	NPC304675
0.7433	Intermediate Similarity	NPC302527
0.7433	Intermediate Similarity	NPC16805
0.7433	Intermediate Similarity	NPC167546
0.7423	Intermediate Similarity	NPC102760
0.7409	Intermediate Similarity	NPC126284
0.7409	Intermediate Similarity	NPC267408
0.7407	Intermediate Similarity	NPC475686
0.7407	Intermediate Similarity	NPC58766
0.7398	Intermediate Similarity	NPC162694
0.7396	Intermediate Similarity	NPC237044
0.7394	Intermediate Similarity	NPC476432
0.7394	Intermediate Similarity	NPC219341
0.7394	Intermediate Similarity	NPC476002
0.7394	Intermediate Similarity	NPC24264
0.7389	Intermediate Similarity	NPC67346
0.7368	Intermediate Similarity	NPC75958
0.7361	Intermediate Similarity	NPC471513
0.736	Intermediate Similarity	NPC166979
0.7349	Intermediate Similarity	NPC231924
0.7348	Intermediate Similarity	NPC211296
0.7347	Intermediate Similarity	NPC9867
0.7344	Intermediate Similarity	NPC308267
0.734	Intermediate Similarity	NPC225774
0.7337	Intermediate Similarity	NPC78733
0.732	Intermediate Similarity	NPC220961
0.732	Intermediate Similarity	NPC244554
0.7316	Intermediate Similarity	NPC86469
0.7304	Intermediate Similarity	NPC43069
0.7304	Intermediate Similarity	NPC140577
0.7297	Intermediate Similarity	NPC180756
0.7297	Intermediate Similarity	NPC323443
0.7287	Intermediate Similarity	NPC320104
0.7281	Intermediate Similarity	NPC473458
0.7277	Intermediate Similarity	NPC477395
0.7268	Intermediate Similarity	NPC8337
0.7268	Intermediate Similarity	NPC85747
0.7263	Intermediate Similarity	NPC284842
0.7263	Intermediate Similarity	NPC190332
0.7263	Intermediate Similarity	NPC181653
0.7245	Intermediate Similarity	NPC275132
0.724	Intermediate Similarity	NPC476220
0.724	Intermediate Similarity	NPC67978
0.724	Intermediate Similarity	NPC303581
0.724	Intermediate Similarity	NPC160113
0.724	Intermediate Similarity	NPC149090
0.724	Intermediate Similarity	NPC19520
0.7236	Intermediate Similarity	NPC470642
0.7231	Intermediate Similarity	NPC27887
0.7222	Intermediate Similarity	NPC214116
0.722	Intermediate Similarity	NPC97086
0.722	Intermediate Similarity	NPC244191
0.7207	Intermediate Similarity	NPC154922
0.7204	Intermediate Similarity	NPC273578
0.7202	Intermediate Similarity	NPC2314
0.7198	Intermediate Similarity	NPC25496
0.7196	Intermediate Similarity	NPC65784
0.7192	Intermediate Similarity	NPC193906
0.7192	Intermediate Similarity	NPC23080
0.7188	Intermediate Similarity	NPC6152
0.7181	Intermediate Similarity	NPC477559
0.7181	Intermediate Similarity	NPC266753
0.7181	Intermediate Similarity	NPC160298
0.7181	Intermediate Similarity	NPC232924
0.7181	Intermediate Similarity	NPC306902
0.7179	Intermediate Similarity	NPC320223
0.7179	Intermediate Similarity	NPC114364
0.7173	Intermediate Similarity	NPC100566
0.7172	Intermediate Similarity	NPC18306
0.7165	Intermediate Similarity	NPC187678
0.7165	Intermediate Similarity	NPC229166
0.7165	Intermediate Similarity	NPC128560
0.7165	Intermediate Similarity	NPC199465
0.7143	Intermediate Similarity	NPC475794
0.7136	Intermediate Similarity	NPC232533
0.7136	Intermediate Similarity	NPC477397
0.7135	Intermediate Similarity	NPC210642
0.7135	Intermediate Similarity	NPC13985
0.7135	Intermediate Similarity	NPC241055
0.7135	Intermediate Similarity	NPC148898
0.7128	Intermediate Similarity	NPC477080
0.7127	Intermediate Similarity	NPC145304
0.712	Intermediate Similarity	NPC177476
0.712	Intermediate Similarity	NPC474858
0.712	Intermediate Similarity	NPC262455
0.712	Intermediate Similarity	NPC223125
0.7116	Intermediate Similarity	NPC222046
0.7114	Intermediate Similarity	NPC226708
0.7111	Intermediate Similarity	NPC476258
0.7111	Intermediate Similarity	NPC304837
0.7105	Intermediate Similarity	NPC470637
0.7095	Intermediate Similarity	NPC46990
0.7092	Intermediate Similarity	NPC474568
0.709	Intermediate Similarity	NPC97072
0.709	Intermediate Similarity	NPC165797
0.709	Intermediate Similarity	NPC215829
0.7085	Intermediate Similarity	NPC34780
0.7081	Intermediate Similarity	NPC157958
0.7081	Intermediate Similarity	NPC475170
0.7074	Intermediate Similarity	NPC476572
0.7073	Intermediate Similarity	NPC207239
0.7071	Intermediate Similarity	NPC116284
0.7071	Intermediate Similarity	NPC474650
0.7071	Intermediate Similarity	NPC476575
0.7068	Intermediate Similarity	NPC231198
0.7062	Intermediate Similarity	NPC57272
0.7062	Intermediate Similarity	NPC227683
0.7062	Intermediate Similarity	NPC474948
0.7062	Intermediate Similarity	NPC42230
0.7059	Intermediate Similarity	NPC99659
0.7059	Intermediate Similarity	NPC325871
0.7059	Intermediate Similarity	NPC279665
0.7056	Intermediate Similarity	NPC234772
0.7056	Intermediate Similarity	NPC258695
0.7056	Intermediate Similarity	NPC162851
0.7056	Intermediate Similarity	NPC218092
0.7056	Intermediate Similarity	NPC470879
0.7056	Intermediate Similarity	NPC246474
0.7053	Intermediate Similarity	NPC243483
0.7053	Intermediate Similarity	NPC68619
0.7053	Intermediate Similarity	NPC469479

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475713 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	197
0.1-0.2	689
0.2-0.3	1178
0.3-0.4	2602
0.4-0.5	2456
0.5-0.6	1557
0.6-0.7	423
0.7-0.8	51
0.8-0.85	8
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.822	Intermediate Similarity	NPD2975	Approved
0.822	Intermediate Similarity	NPD2973	Approved
0.822	Intermediate Similarity	NPD2974	Approved
0.8216	Intermediate Similarity	NPD2971	Approved
0.8216	Intermediate Similarity	NPD2968	Approved
0.8093	Intermediate Similarity	NPD4580	Approved
0.8051	Intermediate Similarity	NPD2493	Approved
0.8051	Intermediate Similarity	NPD2494	Approved
0.7959	Intermediate Similarity	NPD3452	Approved
0.7959	Intermediate Similarity	NPD3450	Approved
0.7929	Intermediate Similarity	NPD4583	Approved
0.7929	Intermediate Similarity	NPD4582	Approved
0.7879	Intermediate Similarity	NPD4004	Approved
0.7879	Intermediate Similarity	NPD4002	Approved
0.7865	Intermediate Similarity	NPD2490	Approved
0.7865	Intermediate Similarity	NPD2488	Approved
0.7732	Intermediate Similarity	NPD7296	Approved
0.7716	Intermediate Similarity	NPD4420	Approved
0.7662	Intermediate Similarity	NPD4040	Phase 1
0.765	Intermediate Similarity	NPD5005	Approved
0.765	Intermediate Similarity	NPD5006	Approved
0.7638	Intermediate Similarity	NPD4107	Approved
0.7512	Intermediate Similarity	NPD4482	Phase 3
0.75	Intermediate Similarity	NPD4481	Phase 3
0.7461	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD3057	Approved
0.7383	Intermediate Similarity	NPD5619	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD7907	Approved
0.736	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7356	Intermediate Similarity	NPD5676	Approved
0.7333	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7304	Intermediate Similarity	NPD3533	Approved
0.7304	Intermediate Similarity	NPD2972	Approved
0.7302	Intermediate Similarity	NPD3051	Approved
0.7277	Intermediate Similarity	NPD4111	Phase 1
0.7277	Intermediate Similarity	NPD4665	Approved
0.7222	Intermediate Similarity	NPD7906	Approved
0.7194	Intermediate Similarity	NPD4577	Approved
0.7194	Intermediate Similarity	NPD4578	Approved
0.7173	Intermediate Similarity	NPD2969	Approved
0.7173	Intermediate Similarity	NPD2970	Approved
0.7172	Intermediate Similarity	NPD4663	Approved
0.7156	Intermediate Similarity	NPD7827	Phase 1
0.7136	Intermediate Similarity	NPD2491	Approved
0.7127	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD4210	Discontinued
0.7103	Intermediate Similarity	NPD5980	Discovery
0.7097	Intermediate Similarity	NPD6997	Phase 2
0.7073	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7056	Intermediate Similarity	NPD4236	Phase 3
0.7056	Intermediate Similarity	NPD4237	Approved
0.7053	Intermediate Similarity	NPD3448	Approved
0.7048	Intermediate Similarity	NPD4859	Phase 1
0.7047	Intermediate Similarity	NPD2489	Approved
0.7047	Intermediate Similarity	NPD27	Approved
0.704	Intermediate Similarity	NPD6625	Approved
0.7022	Intermediate Similarity	NPD7048	Phase 3
0.7019	Intermediate Similarity	NPD7497	Discontinued
0.7015	Intermediate Similarity	NPD7235	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD5241	Discontinued
0.6977	Remote Similarity	NPD7047	Phase 3
0.6965	Remote Similarity	NPD7243	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD3146	Approved
0.6947	Remote Similarity	NPD4965	Approved
0.6947	Remote Similarity	NPD4967	Phase 2
0.6947	Remote Similarity	NPD4966	Approved
0.6947	Remote Similarity	NPD4846	Phase 2
0.6939	Remote Similarity	NPD5313	Approved
0.6939	Remote Similarity	NPD5312	Approved
0.6935	Remote Similarity	NPD7312	Approved
0.6935	Remote Similarity	NPD7280	Phase 3
0.6935	Remote Similarity	NPD7313	Approved
0.6935	Remote Similarity	NPD7310	Approved
0.6935	Remote Similarity	NPD7311	Approved
0.6935	Remote Similarity	NPD7281	Phase 3
0.6915	Remote Similarity	NPD6386	Approved
0.6915	Remote Similarity	NPD6385	Approved
0.6907	Remote Similarity	NPD5242	Approved
0.69	Remote Similarity	NPD7309	Approved
0.6887	Remote Similarity	NPD7701	Phase 2
0.6882	Remote Similarity	NPD3640	Phase 3
0.6882	Remote Similarity	NPD4727	Phase 1
0.6882	Remote Similarity	NPD3641	Approved
0.6882	Remote Similarity	NPD3639	Approved
0.6875	Remote Similarity	NPD6234	Discontinued
0.6853	Remote Similarity	NPD6042	Phase 2
0.6853	Remote Similarity	NPD42	Phase 2
0.6845	Remote Similarity	NPD7667	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD2978	Approved
0.6842	Remote Similarity	NPD2977	Approved
0.6834	Remote Similarity	NPD7038	Approved
0.6834	Remote Similarity	NPD7039	Approved
0.6804	Remote Similarity	NPD6107	Approved
0.6794	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD6662	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD37	Approved
0.6772	Remote Similarity	NPD6876	Approved
0.6772	Remote Similarity	NPD6875	Approved
0.6769	Remote Similarity	NPD7315	Approved
0.6746	Remote Similarity	NPD8285	Discontinued
0.6737	Remote Similarity	NPD7110	Phase 1
0.6737	Remote Similarity	NPD7109	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD5353	Approved
0.6716	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD5457	Discontinued
0.6703	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD8319	Approved
0.6667	Remote Similarity	NPD8320	Phase 1
0.6649	Remote Similarity	NPD5754	Discontinued
0.6649	Remote Similarity	NPD3647	Clinical (unspecified phase)
0.6636	Remote Similarity	NPD7999	Approved
0.6634	Remote Similarity	NPD6040	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD7228	Approved
0.6632	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6632	Remote Similarity	NPD5977	Approved
0.6632	Remote Similarity	NPD2563	Approved
0.6632	Remote Similarity	NPD5978	Approved
0.6632	Remote Similarity	NPD2560	Approved
0.6631	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.663	Remote Similarity	NPD2897	Discontinued
0.663	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD2669	Clinical (unspecified phase)
0.6615	Remote Similarity	NPD5709	Phase 3
0.6615	Remote Similarity	NPD7248	Discontinued
0.6611	Remote Similarity	NPD3109	Approved
0.6611	Remote Similarity	NPD3110	Approved
0.6603	Remote Similarity	NPD5582	Discontinued
0.6598	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD4584	Approved
0.6592	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD3857	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD4666	Phase 3
0.658	Remote Similarity	NPD5773	Approved
0.658	Remote Similarity	NPD5772	Approved
0.6579	Remote Similarity	NPD3687	Approved
0.6579	Remote Similarity	NPD3686	Approved
0.6576	Remote Similarity	NPD1375	Discontinued
0.657	Remote Similarity	NPD5525	Clinical (unspecified phase)
0.6569	Remote Similarity	NPD6853	Approved
0.6569	Remote Similarity	NPD6851	Approved
0.6562	Remote Similarity	NPD6873	Phase 2
0.6561	Remote Similarity	NPD8404	Phase 2
0.6558	Remote Similarity	NPD7607	Clinical (unspecified phase)
0.6557	Remote Similarity	NPD6778	Approved
0.6557	Remote Similarity	NPD6781	Approved
0.6557	Remote Similarity	NPD1753	Discontinued
0.6557	Remote Similarity	NPD6780	Approved
0.6557	Remote Similarity	NPD6777	Approved
0.6557	Remote Similarity	NPD6779	Approved
0.6557	Remote Similarity	NPD6782	Approved
0.6557	Remote Similarity	NPD6776	Approved
0.6552	Remote Similarity	NPD3705	Approved
0.655	Remote Similarity	NPD2163	Approved
0.6548	Remote Similarity	NPD7199	Phase 2
0.6545	Remote Similarity	NPD7930	Approved
0.6542	Remote Similarity	NPD7696	Phase 3
0.6542	Remote Similarity	NPD7698	Approved
0.6542	Remote Similarity	NPD7697	Approved
0.6541	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6537	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD6723	Discontinued
0.6515	Remote Similarity	NPD6071	Discontinued
0.6515	Remote Similarity	NPD5710	Approved
0.6515	Remote Similarity	NPD5711	Approved
0.6512	Remote Similarity	NPD7871	Phase 2
0.6512	Remote Similarity	NPD7870	Phase 2
0.6505	Remote Similarity	NPD2654	Approved
0.6503	Remote Similarity	NPD6895	Approved
0.6503	Remote Similarity	NPD6896	Approved
0.6502	Remote Similarity	NPD7240	Approved
0.6495	Remote Similarity	NPD6818	Clinical (unspecified phase)
0.6495	Remote Similarity	NPD4585	Approved
0.6493	Remote Similarity	NPD5564	Approved
0.649	Remote Similarity	NPD3808	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD7124	Phase 2
0.6481	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.648	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.648	Remote Similarity	NPD7832	Clinical (unspecified phase)
0.648	Remote Similarity	NPD7833	Phase 2
0.648	Remote Similarity	NPD7831	Phase 2
0.6468	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6464	Remote Similarity	NPD554	Clinical (unspecified phase)
0.646	Remote Similarity	NPD7278	Phase 2
0.646	Remote Similarity	NPD7279	Phase 2
0.6453	Remote Similarity	NPD6297	Approved
0.6448	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.644	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.644	Remote Similarity	NPD5976	Discontinued
0.6438	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD7874	Approved
0.6436	Remote Similarity	NPD2677	Approved
0.6436	Remote Similarity	NPD3050	Clinical (unspecified phase)
0.6436	Remote Similarity	NPD5096	Phase 3
0.6436	Remote Similarity	NPD5095	Phase 3
0.6436	Remote Similarity	NPD8156	Discontinued
0.6432	Remote Similarity	NPD4166	Phase 2

Structure

NPC475713 OpenBabel07101718192D 27 32 0 0 1 0 0 0 0 0999 V2000 1.7734 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9589 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7967 2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2362 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 2.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4221 0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6843 2.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7834 0.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7834 1.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8936 -0.2132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8030 1.4741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8936 2.1796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7750 1.2685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0733 0.9158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6047 0.8742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4139 2.9434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 0.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9918 0.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7962 0.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7962 1.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 21 1 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 9 1 1 0 0 0 16 27 1 0 0 0 0 17 20 1 6 0 0 0 17 23 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 20 24 1 1 0 0 0 20 27 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44577168
ChEMBL	CHEMBL512458
ZINC

Physicochemical Properties

Molecular Weight:	373.15
ALogP:	-0.9933
MLogP:	2.89
XLogP:	0.392
# Rotatable Bonds:	5
Polar Surface Area:	66.46
# H-Bond Aceptor:	5
# H-Bond Donor:	0
# Rings:	6
# Heavy Atoms:	27

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