NPASS Natural Product

Natural Product: NPC189782

Natural Product ID:	NPC189782
Common Name:	n.a.
IUPAC Name:
Synonyms:	(-)-Cornigerine
Molecular Formula:	C21H21NO6
Standard InCHIKey:	DCYAJVOKJAFSES-HNNXBMFYSA-N
Standard InCHI:	InChI=1S/C21H21NO6/c1-11(23)22-15-6-4-12-8-18-20(28-10-27-18)21(26-3)19(12)13-5-7-17(25-2)16(24)9-14(13)15/h5,7-9,15H,4,6,10H2,1-3H3,(H,22,23)/t15-/m0/s1
Canonical SMILES:	COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)OC)N=C(O)C)cc2c1OCO2
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
NPO24146	Colchicum brachyphyllum	Species	Colchicaceae	Eukaryota		Jordanian		PMID[15730238]

Biological Activity

Activity Type	# Activity
EC50	3
IC50	1
MIC	4
Others	3
Potency	1

Activity Type	# Activity
Cell Line	4
Individual Protein	1
Organism	5
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell Line	MCF7	Homo sapiens	EC50	=	61	nM	17253840
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	>	500	ug/ml	12699389
NPT140	Organism	Artemia	Artemia	LC50	=	7.7	ug/ml	15787448
NPT168	Cell Line	P388	Mus musculus	Potency	<	10	uM/kg	19604701
NPT395	Cell Line	SF-268	Homo sapiens	EC50	=	97	nM	23062825
NPT3597	Individual Protein	Tubulin beta chain	Bos taurus	IC50	=	2100	nM	17650015
NPT2	Others	Unspecified		Activity	=	50	%	DrugMatrix in vitro pharmacology data
NPT21	Organism	Aspergillus niger	Aspergillus niger	MIC	>	500	ug/ml	DrugMatrix in vitro pharmacology data
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	MIC	>	500	ug/ml	22148427
NPT397	Cell Line	NCI-H460	Homo sapiens	EC50	=	59	nM	24900865
NPT602	Organism	Mycobacterium smegmatis	Mycobacterium smegmatis	MIC	>	500	ug/ml	27492195

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 NPC189782 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	167
0.1-0.2	1106
0.2-0.3	3111
0.3-0.4	9184
0.4-0.5	3966
0.5-0.6	5945
0.6-0.7	6951
0.7-0.8	446
0.8-0.85	1
0.85-0.9	6
0.9-0.95	3
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9536	High Similarity	NPC226941
0.9536	High Similarity	NPC14005
0.9536	High Similarity	NPC108957
0.9281	High Similarity	NPC44642
0.9231	High Similarity	NPC66678
0.9231	High Similarity	NPC202839
0.8903	High Similarity	NPC218575
0.8882	High Similarity	NPC3906
0.8679	High Similarity	NPC190931
0.8537	High Similarity	NPC188120
0.8537	High Similarity	NPC53146
0.8537	High Similarity	NPC286790
0.8012	Intermediate Similarity	NPC329837
0.7791	Intermediate Similarity	NPC182257
0.7765	Intermediate Similarity	NPC59567
0.7758	Intermediate Similarity	NPC474560
0.7758	Intermediate Similarity	NPC177830
0.7719	Intermediate Similarity	NPC180306
0.768	Intermediate Similarity	NPC470642
0.7667	Intermediate Similarity	NPC475919
0.7667	Intermediate Similarity	NPC474661
0.7657	Intermediate Similarity	NPC228040
0.7657	Intermediate Similarity	NPC474051
0.7644	Intermediate Similarity	NPC474953
0.7607	Intermediate Similarity	NPC50696
0.7588	Intermediate Similarity	NPC106786
0.7576	Intermediate Similarity	NPC59907
0.7576	Intermediate Similarity	NPC37144
0.7569	Intermediate Similarity	NPC474009
0.7557	Intermediate Similarity	NPC110374
0.7557	Intermediate Similarity	NPC289743
0.7548	Intermediate Similarity	NPC147247
0.7548	Intermediate Similarity	NPC246974
0.7543	Intermediate Similarity	NPC75958
0.7532	Intermediate Similarity	NPC473463
0.7529	Intermediate Similarity	NPC117154
0.7516	Intermediate Similarity	NPC77572
0.7516	Intermediate Similarity	NPC201404
0.7516	Intermediate Similarity	NPC53722
0.7516	Intermediate Similarity	NPC290714
0.7515	Intermediate Similarity	NPC169742
0.7514	Intermediate Similarity	NPC18306
0.75	Intermediate Similarity	NPC470706
0.75	Intermediate Similarity	NPC19520
0.75	Intermediate Similarity	NPC149090
0.7486	Intermediate Similarity	NPC244554
0.7486	Intermediate Similarity	NPC475794
0.7485	Intermediate Similarity	NPC69360
0.7484	Intermediate Similarity	NPC99798
0.7484	Intermediate Similarity	NPC185680
0.7484	Intermediate Similarity	NPC191302
0.7484	Intermediate Similarity	NPC145722
0.7484	Intermediate Similarity	NPC256776
0.7484	Intermediate Similarity	NPC157740
0.7472	Intermediate Similarity	NPC115343
0.7472	Intermediate Similarity	NPC1291
0.7471	Intermediate Similarity	NPC68328
0.7446	Intermediate Similarity	NPC63152
0.7444	Intermediate Similarity	NPC474607
0.7439	Intermediate Similarity	NPC244338
0.7436	Intermediate Similarity	NPC469977
0.7425	Intermediate Similarity	NPC477375
0.7425	Intermediate Similarity	NPC304821
0.7425	Intermediate Similarity	NPC252281
0.7425	Intermediate Similarity	NPC198129
0.7425	Intermediate Similarity	NPC327352
0.7419	Intermediate Similarity	NPC156944
0.7419	Intermediate Similarity	NPC251466
0.7412	Intermediate Similarity	NPC77237
0.7412	Intermediate Similarity	NPC53669
0.7412	Intermediate Similarity	NPC24562
0.7412	Intermediate Similarity	NPC217708
0.7412	Intermediate Similarity	NPC126405
0.7412	Intermediate Similarity	NPC308739
0.7412	Intermediate Similarity	NPC297271
0.7412	Intermediate Similarity	NPC16791
0.7403	Intermediate Similarity	NPC474650
0.7396	Intermediate Similarity	NPC224472
0.7396	Intermediate Similarity	NPC223124
0.7391	Intermediate Similarity	NPC197166
0.7391	Intermediate Similarity	NPC32189
0.7381	Intermediate Similarity	NPC322426
0.7381	Intermediate Similarity	NPC477376
0.7381	Intermediate Similarity	NPC477374
0.7381	Intermediate Similarity	NPC85141
0.7378	Intermediate Similarity	NPC36531
0.7378	Intermediate Similarity	NPC191231
0.7378	Intermediate Similarity	NPC184641
0.7378	Intermediate Similarity	NPC184684
0.7378	Intermediate Similarity	NPC103637
0.7378	Intermediate Similarity	NPC133934
0.7378	Intermediate Similarity	NPC230538
0.7378	Intermediate Similarity	NPC229172
0.7372	Intermediate Similarity	NPC41331
0.7372	Intermediate Similarity	NPC291449
0.7372	Intermediate Similarity	NPC291847
0.7368	Intermediate Similarity	NPC198461
0.7368	Intermediate Similarity	NPC312763
0.7362	Intermediate Similarity	NPC103448
0.7362	Intermediate Similarity	NPC216434
0.7362	Intermediate Similarity	NPC144284
0.7362	Intermediate Similarity	NPC278076
0.7355	Intermediate Similarity	NPC170583
0.7355	Intermediate Similarity	NPC182147
0.7355	Intermediate Similarity	NPC207541
0.7355	Intermediate Similarity	NPC246133
0.7355	Intermediate Similarity	NPC71105
0.7355	Intermediate Similarity	NPC152186
0.7353	Intermediate Similarity	NPC220577
0.7346	Intermediate Similarity	NPC296898
0.7346	Intermediate Similarity	NPC196420
0.7342	Intermediate Similarity	NPC184814
0.7342	Intermediate Similarity	NPC63574
0.7337	Intermediate Similarity	NPC316989
0.7337	Intermediate Similarity	NPC85747
0.7337	Intermediate Similarity	NPC8337
0.7333	Intermediate Similarity	NPC76415
0.7333	Intermediate Similarity	NPC324962
0.7333	Intermediate Similarity	NPC218510
0.733	Intermediate Similarity	NPC304846
0.7326	Intermediate Similarity	NPC476065
0.7321	Intermediate Similarity	NPC316676
0.7321	Intermediate Similarity	NPC211296
0.7321	Intermediate Similarity	NPC325720
0.7314	Intermediate Similarity	NPC255607
0.7314	Intermediate Similarity	NPC54125
0.7314	Intermediate Similarity	NPC89199
0.7314	Intermediate Similarity	NPC3375
0.7312	Intermediate Similarity	NPC471391
0.7312	Intermediate Similarity	NPC471390
0.7312	Intermediate Similarity	NPC282477
0.7312	Intermediate Similarity	NPC196937
0.7312	Intermediate Similarity	NPC284855
0.7305	Intermediate Similarity	NPC87295
0.7305	Intermediate Similarity	NPC472560
0.7303	Intermediate Similarity	NPC477115
0.7303	Intermediate Similarity	NPC231371
0.7301	Intermediate Similarity	NPC9068
0.7301	Intermediate Similarity	NPC30951
0.7301	Intermediate Similarity	NPC6369
0.7297	Intermediate Similarity	NPC82763
0.7294	Intermediate Similarity	NPC471073
0.7294	Intermediate Similarity	NPC270811
0.7293	Intermediate Similarity	NPC258695
0.7293	Intermediate Similarity	NPC470879
0.729	Intermediate Similarity	NPC191768
0.729	Intermediate Similarity	NPC283170
0.729	Intermediate Similarity	NPC300955
0.729	Intermediate Similarity	NPC92869
0.7289	Intermediate Similarity	NPC239254
0.7289	Intermediate Similarity	NPC121661
0.7289	Intermediate Similarity	NPC326144
0.7289	Intermediate Similarity	NPC73467
0.7289	Intermediate Similarity	NPC172171
0.7284	Intermediate Similarity	NPC254610
0.7283	Intermediate Similarity	NPC57036
0.7283	Intermediate Similarity	NPC473323
0.7278	Intermediate Similarity	NPC223125
0.7273	Intermediate Similarity	NPC474295
0.7273	Intermediate Similarity	NPC211231
0.7262	Intermediate Similarity	NPC475959
0.7256	Intermediate Similarity	NPC284464
0.7254	Intermediate Similarity	NPC475768
0.7253	Intermediate Similarity	NPC32413
0.7253	Intermediate Similarity	NPC474506
0.7251	Intermediate Similarity	NPC477378
0.7251	Intermediate Similarity	NPC475229
0.725	Intermediate Similarity	NPC97316
0.7246	Intermediate Similarity	NPC475868
0.7246	Intermediate Similarity	NPC476841
0.7246	Intermediate Similarity	NPC166506
0.7246	Intermediate Similarity	NPC327651
0.7246	Intermediate Similarity	NPC110763
0.7246	Intermediate Similarity	NPC473934
0.7246	Intermediate Similarity	NPC476843
0.7246	Intermediate Similarity	NPC318286
0.7246	Intermediate Similarity	NPC197352
0.7246	Intermediate Similarity	NPC189239
0.7243	Intermediate Similarity	NPC476576
0.7243	Intermediate Similarity	NPC186546
0.7241	Intermediate Similarity	NPC475592
0.7241	Intermediate Similarity	NPC226428
0.7241	Intermediate Similarity	NPC4304
0.7238	Intermediate Similarity	NPC23219
0.7237	Intermediate Similarity	NPC119949
0.7235	Intermediate Similarity	NPC473989
0.7235	Intermediate Similarity	NPC127402
0.7235	Intermediate Similarity	NPC24425
0.7235	Intermediate Similarity	NPC475170
0.7235	Intermediate Similarity	NPC476579
0.7228	Intermediate Similarity	NPC9867
0.7222	Intermediate Similarity	NPC207721
0.7222	Intermediate Similarity	NPC73071
0.7222	Intermediate Similarity	NPC150534
0.7222	Intermediate Similarity	NPC187678
0.7219	Intermediate Similarity	NPC182119
0.7216	Intermediate Similarity	NPC306669
0.7216	Intermediate Similarity	NPC16805
0.7216	Intermediate Similarity	NPC24465
0.7216	Intermediate Similarity	NPC302527

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC189782 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	151
0.1-0.2	694
0.2-0.3	1143
0.3-0.4	2703
0.4-0.5	2462
0.5-0.6	1479
0.6-0.7	502
0.7-0.8	21
0.8-0.85	3
0.85-0.9	1
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9536	High Similarity	NPD5089	Approved
0.9536	High Similarity	NPD5090	Approved
0.8679	High Similarity	NPD4585	Approved
0.8488	Intermediate Similarity	NPD6842	Approved
0.8488	Intermediate Similarity	NPD6843	Phase 3
0.8488	Intermediate Similarity	NPD6841	Approved
0.7964	Intermediate Similarity	NPD4055	Discovery
0.7651	Intermediate Similarity	NPD4005	Discontinued
0.7647	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD1375	Discontinued
0.7246	Intermediate Similarity	NPD4357	Discontinued
0.7208	Intermediate Similarity	NPD3705	Approved
0.716	Intermediate Similarity	NPD1772	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD4739	Approved
0.7081	Intermediate Similarity	NPD554	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD2492	Phase 1
0.7041	Intermediate Similarity	NPD5297	Approved
0.7039	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7024	Intermediate Similarity	NPD2219	Phase 1
0.7024	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD6111	Discontinued
0.7011	Intermediate Similarity	NPD37	Approved
0.701	Intermediate Similarity	NPD5006	Approved
0.701	Intermediate Similarity	NPD5005	Approved
0.6984	Remote Similarity	NPD7296	Approved
0.6975	Remote Similarity	NPD2674	Phase 3
0.6971	Remote Similarity	NPD5563	Clinical (unspecified phase)
0.697	Remote Similarity	NPD4108	Discontinued
0.6959	Remote Similarity	NPD7527	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD7526	Approved
0.6959	Remote Similarity	NPD52	Approved
0.6932	Remote Similarity	NPD2563	Approved
0.6932	Remote Similarity	NPD2560	Approved
0.6928	Remote Similarity	NPD2161	Phase 2
0.6923	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD2898	Approved
0.6897	Remote Similarity	NPD4675	Approved
0.6897	Remote Similarity	NPD4678	Approved
0.6893	Remote Similarity	NPD4967	Phase 2
0.6893	Remote Similarity	NPD4965	Approved
0.6893	Remote Similarity	NPD4966	Approved
0.6891	Remote Similarity	NPD4420	Approved
0.6882	Remote Similarity	NPD7124	Phase 2
0.6875	Remote Similarity	NPD2977	Approved
0.6875	Remote Similarity	NPD2978	Approved
0.6875	Remote Similarity	NPD5772	Approved
0.6875	Remote Similarity	NPD5773	Approved
0.6866	Remote Similarity	NPD7827	Phase 1
0.6864	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.686	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6856	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD2157	Approved
0.6845	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD7199	Phase 2
0.6832	Remote Similarity	NPD1712	Approved
0.6831	Remote Similarity	NPD8251	Approved
0.6831	Remote Similarity	NPD8252	Approved
0.6831	Remote Similarity	NPD8099	Discontinued
0.6816	Remote Similarity	NPD6234	Discontinued
0.6813	Remote Similarity	NPD4481	Phase 3
0.681	Remote Similarity	NPD3144	Approved
0.681	Remote Similarity	NPD3145	Approved
0.6805	Remote Similarity	NPD4237	Approved
0.6805	Remote Similarity	NPD4236	Phase 3
0.6802	Remote Similarity	NPD4584	Approved
0.6798	Remote Similarity	NPD3882	Suspended
0.6793	Remote Similarity	NPD8156	Discontinued
0.6792	Remote Similarity	NPD1669	Approved
0.6791	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD6331	Phase 2
0.6763	Remote Similarity	NPD3647	Clinical (unspecified phase)
0.6758	Remote Similarity	NPD5242	Approved
0.6755	Remote Similarity	NPD8054	Approved
0.6755	Remote Similarity	NPD8053	Approved
0.6753	Remote Similarity	NPD2974	Approved
0.6753	Remote Similarity	NPD2975	Approved
0.6753	Remote Similarity	NPD2973	Approved
0.6738	Remote Similarity	NPD7549	Discontinued
0.6724	Remote Similarity	NPD3641	Approved
0.6724	Remote Similarity	NPD3640	Phase 3
0.6724	Remote Similarity	NPD3639	Approved
0.6707	Remote Similarity	NPD5109	Approved
0.6707	Remote Similarity	NPD5110	Phase 2
0.6707	Remote Similarity	NPD5111	Phase 2
0.6706	Remote Similarity	NPD2654	Approved
0.6704	Remote Similarity	NPD6788	Approved
0.6703	Remote Similarity	NPD6071	Discontinued
0.6703	Remote Similarity	NPD7315	Approved
0.6703	Remote Similarity	NPD3051	Approved
0.6702	Remote Similarity	NPD2971	Approved
0.6702	Remote Similarity	NPD2968	Approved
0.6686	Remote Similarity	NPD1653	Approved
0.6667	Remote Similarity	NPD2969	Approved
0.6667	Remote Similarity	NPD2970	Approved
0.665	Remote Similarity	NPD4580	Approved
0.6649	Remote Similarity	NPD3818	Discontinued
0.6648	Remote Similarity	NPD3817	Phase 2
0.6647	Remote Similarity	NPD7153	Discontinued
0.6647	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD3027	Phase 3
0.6646	Remote Similarity	NPD1024	Discontinued
0.6631	Remote Similarity	NPD7007	Discovery
0.663	Remote Similarity	NPD5709	Phase 3
0.6629	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD5241	Discontinued
0.6626	Remote Similarity	NPD3018	Phase 2
0.6616	Remote Similarity	NPD2494	Approved
0.6616	Remote Similarity	NPD2493	Approved
0.6616	Remote Similarity	NPD3452	Approved
0.6616	Remote Similarity	NPD3450	Approved
0.6615	Remote Similarity	NPD3408	Clinical (unspecified phase)
0.6612	Remote Similarity	NPD4606	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD1424	Approved
0.6609	Remote Similarity	NPD4123	Phase 3
0.6593	Remote Similarity	NPD7201	Clinical (unspecified phase)
0.6593	Remote Similarity	NPD6746	Phase 2
0.6593	Remote Similarity	NPD4666	Phase 3
0.6591	Remote Similarity	NPD4210	Discontinued
0.6584	Remote Similarity	NPD3676	Clinical (unspecified phase)
0.658	Remote Similarity	NPD2488	Approved
0.658	Remote Similarity	NPD2490	Approved
0.6575	Remote Similarity	NPD5604	Discontinued
0.6573	Remote Similarity	NPD6385	Approved
0.6573	Remote Similarity	NPD6386	Approved
0.6571	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD1351	Approved
0.6571	Remote Similarity	NPD1350	Approved
0.6571	Remote Similarity	NPD1349	Approved
0.6566	Remote Similarity	NPD4107	Approved
0.6562	Remote Similarity	NPD7243	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD3349	Phase 2
0.6562	Remote Similarity	NPD7906	Approved
0.6559	Remote Similarity	NPD7228	Approved
0.6559	Remote Similarity	NPD2163	Approved
0.6556	Remote Similarity	NPD2358	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD7261	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD8151	Discontinued
0.6545	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6543	Remote Similarity	NPD6996	Clinical (unspecified phase)
0.6543	Remote Similarity	NPD2922	Phase 1
0.6541	Remote Similarity	NPD2489	Approved
0.6541	Remote Similarity	NPD4626	Approved
0.6541	Remote Similarity	NPD27	Approved
0.6538	Remote Similarity	NPD919	Approved
0.6538	Remote Similarity	NPD709	Approved
0.6536	Remote Similarity	NPD3384	Approved
0.6536	Remote Similarity	NPD3382	Approved
0.6536	Remote Similarity	NPD3383	Approved
0.6527	Remote Similarity	NPD2238	Phase 2
0.6526	Remote Similarity	NPD7281	Phase 3
0.6526	Remote Similarity	NPD7280	Phase 3
0.652	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.652	Remote Similarity	NPD7874	Approved
0.6517	Remote Similarity	NPD4583	Approved
0.6517	Remote Similarity	NPD4582	Approved
0.6506	Remote Similarity	NPD1048	Approved
0.6505	Remote Similarity	NPD3489	Phase 3
0.65	Remote Similarity	NPD3057	Approved
0.6497	Remote Similarity	NPD3686	Approved
0.6497	Remote Similarity	NPD3687	Approved
0.6495	Remote Similarity	NPD5525	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD6783	Clinical (unspecified phase)
0.6488	Remote Similarity	NPD7801	Approved
0.6486	Remote Similarity	NPD3926	Phase 2
0.6481	Remote Similarity	NPD2982	Phase 2
0.6481	Remote Similarity	NPD3685	Discontinued
0.6481	Remote Similarity	NPD2983	Phase 2
0.648	Remote Similarity	NPD4773	Phase 2
0.648	Remote Similarity	NPD6072	Discontinued
0.648	Remote Similarity	NPD4772	Phase 2
0.6478	Remote Similarity	NPD1357	Approved
0.6474	Remote Similarity	NPD7808	Phase 3
0.6471	Remote Similarity	NPD7493	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6468	Remote Similarity	NPD4004	Approved
0.6468	Remote Similarity	NPD4002	Approved
0.6467	Remote Similarity	NPD840	Approved
0.6467	Remote Similarity	NPD1726	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD839	Approved
0.6464	Remote Similarity	NPD5977	Approved
0.6464	Remote Similarity	NPD5353	Approved
0.6464	Remote Similarity	NPD5978	Approved
0.6457	Remote Similarity	NPD6799	Approved
0.6456	Remote Similarity	NPD5536	Phase 2
0.6455	Remote Similarity	NPD6797	Phase 2
0.645	Remote Similarity	NPD2653	Approved
0.645	Remote Similarity	NPD4482	Phase 3
0.644	Remote Similarity	NPD7313	Approved
0.644	Remote Similarity	NPD7311	Approved
0.644	Remote Similarity	NPD7312	Approved
0.644	Remote Similarity	NPD4577	Approved
0.644	Remote Similarity	NPD7310	Approved
0.644	Remote Similarity	NPD4578	Approved
0.6432	Remote Similarity	NPD6232	Discontinued
0.6429	Remote Similarity	NPD4060	Phase 1
0.6425	Remote Similarity	NPD7028	Phase 2

Structure

NPC189782 OpenBabel07101718332D 28 31 0 0 1 0 0 0 0 0999 V2000 -7.3738 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9293 3.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 -1.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4399 -1.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 2.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2217 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3738 -1.6750 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 -3.4649 0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4399 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8738 -0.8090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2217 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4399 2.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8738 -0.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8738 -2.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1227 2.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6624 3.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6180 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 11 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 2 0 0 0 0 6 15 1 0 0 0 0 7 17 2 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 14 2 0 0 0 0 9 16 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 22 2 3 0 0 0 11 23 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 22 1 6 0 0 0 16 17 1 0 0 0 0 16 24 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10000015
ChEMBL	CHEMBL282984
ZINC

Physicochemical Properties

Molecular Weight:	383.14
ALogP:	-0.6712
MLogP:	3
XLogP:	1.39
# Rotatable Bonds:	7
Polar Surface Area:	86.58
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	28

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