NPASS Natural Product

Natural Product: NPC278887

Natural Product ID:	NPC278887
Common Name:	Coronaridine Hydroxyindolenine
IUPAC Name:
Synonyms:	Coronaridine Hydroxyindolenine
Molecular Formula:	C21H26N2O3
Standard InCHIKey:	PEBWIYPIKTWOBT-XPZFDQFCSA-N
Standard InCHI:	InChI=1S/C21H26N2O3/c1-3-14-10-13-11-20(19(24)26-2)17(14)23(12-13)9-8-21(25)15-6-4-5-7-16(15)22-18(20)21/h4-7,13-14,17,25H,3,8-12H2,1-2H3/t13-,14-,17-,20-,21+/m0/s1
Canonical SMILES:	CC[C@H]1C[C@@H]2CN3[C@@H]1[C@](C2)(C(=O)OC)C1=Nc2c([C@@]1(CC3)O)cccc2
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO31010	Ervatamia hainanensis	NA	NA	NA	PMID[20850311]
NPO25727	Tabernaemontana divaricata	Species	Apocynaceae	Eukaryota	PMID[26231157]
NPO6246	Tabernaemontana bufalina	Species	Apocynaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
IC50	10

Activity Type	# Activity
Cell Line	7
Individual Protein	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT91	Cell Line	KB	Homo sapiens	IC50	>	25	ug/ml	15357977
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	IC50	>	1000000	nM	20850311
NPT2615	Cell Line	HEK-293T	Homo sapiens	IC50	>	40000	nM	26231157
NPT71	Cell Line	HEK293	Homo sapiens	IC50	>	40000	nM	26231157
NPT2	Others	Unspecified		IC50	=	7300	nM	26231157
NPT2170	Cell Line	RKO	Homo sapiens	IC50	>	40000	nM	26231157
NPT660	Cell Line	SW480	Homo sapiens	IC50	>	40000	nM	26231157
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	>	40000	nM	26231157
NPT2	Others	Unspecified		IC50	>	40000	nM	26231157

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 NPC278887 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	157
0.1-0.2	787
0.2-0.3	2337
0.3-0.4	8361
0.4-0.5	13888
0.5-0.6	4362
0.6-0.7	924
0.7-0.8	60
0.8-0.85	11
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9259	High Similarity	NPC475962
0.8721	High Similarity	NPC203972
0.8333	Intermediate Similarity	NPC474077
0.8272	Intermediate Similarity	NPC153694
0.8272	Intermediate Similarity	NPC211525
0.8133	Intermediate Similarity	NPC470069
0.8133	Intermediate Similarity	NPC52059
0.811	Intermediate Similarity	NPC263709
0.811	Intermediate Similarity	NPC97380
0.811	Intermediate Similarity	NPC148468
0.811	Intermediate Similarity	NPC63210
0.811	Intermediate Similarity	NPC243673
0.811	Intermediate Similarity	NPC310403
0.7927	Intermediate Similarity	NPC161827
0.7895	Intermediate Similarity	NPC298851
0.7895	Intermediate Similarity	NPC210415
0.7895	Intermediate Similarity	NPC293255
0.7895	Intermediate Similarity	NPC21752
0.7895	Intermediate Similarity	NPC181138
0.7895	Intermediate Similarity	NPC276993
0.7818	Intermediate Similarity	NPC473297
0.7692	Intermediate Similarity	NPC472121
0.768	Intermediate Similarity	NPC28510
0.7661	Intermediate Similarity	NPC472115
0.7661	Intermediate Similarity	NPC472114
0.7556	Intermediate Similarity	NPC282092
0.75	Intermediate Similarity	NPC472100
0.7456	Intermediate Similarity	NPC477157
0.7456	Intermediate Similarity	NPC477156
0.7453	Intermediate Similarity	NPC243162
0.7443	Intermediate Similarity	NPC13367
0.7414	Intermediate Similarity	NPC469462
0.7403	Intermediate Similarity	NPC469460
0.7384	Intermediate Similarity	NPC476231
0.7363	Intermediate Similarity	NPC291759
0.736	Intermediate Similarity	NPC469928
0.7348	Intermediate Similarity	NPC245741
0.7338	Intermediate Similarity	NPC317758
0.7337	Intermediate Similarity	NPC329858
0.7333	Intermediate Similarity	NPC116519
0.7308	Intermediate Similarity	NPC133591
0.7273	Intermediate Similarity	NPC472103
0.7273	Intermediate Similarity	NPC330009
0.7268	Intermediate Similarity	NPC38823
0.7268	Intermediate Similarity	NPC207033
0.7225	Intermediate Similarity	NPC225319
0.7225	Intermediate Similarity	NPC143457
0.7225	Intermediate Similarity	NPC474058
0.7222	Intermediate Similarity	NPC321211
0.7207	Intermediate Similarity	NPC476441
0.7184	Intermediate Similarity	NPC282339
0.7184	Intermediate Similarity	NPC99632
0.7168	Intermediate Similarity	NPC469461
0.7168	Intermediate Similarity	NPC36495
0.7151	Intermediate Similarity	NPC29285
0.7151	Intermediate Similarity	NPC314333
0.7135	Intermediate Similarity	NPC478076
0.712	Intermediate Similarity	NPC472209
0.7105	Intermediate Similarity	NPC475559
0.7088	Intermediate Similarity	NPC39822
0.7079	Intermediate Similarity	NPC469915
0.7074	Intermediate Similarity	NPC204970
0.7069	Intermediate Similarity	NPC471122
0.7059	Intermediate Similarity	NPC471196
0.7059	Intermediate Similarity	NPC471195
0.7043	Intermediate Similarity	NPC21425
0.7035	Intermediate Similarity	NPC475778
0.7029	Intermediate Similarity	NPC477158
0.7029	Intermediate Similarity	NPC248117
0.7027	Intermediate Similarity	NPC322621
0.7016	Intermediate Similarity	NPC302548
0.7011	Intermediate Similarity	NPC61013
0.7	Intermediate Similarity	NPC476425
0.6989	Remote Similarity	NPC472117
0.6971	Remote Similarity	NPC193410
0.6968	Remote Similarity	NPC5630
0.6952	Remote Similarity	NPC473815
0.6949	Remote Similarity	NPC189116
0.6949	Remote Similarity	NPC313757
0.6946	Remote Similarity	NPC96321
0.6941	Remote Similarity	NPC254798
0.694	Remote Similarity	NPC126515
0.694	Remote Similarity	NPC472331
0.694	Remote Similarity	NPC218594
0.694	Remote Similarity	NPC99043
0.694	Remote Similarity	NPC274002
0.6935	Remote Similarity	NPC234999
0.6932	Remote Similarity	NPC27904
0.6931	Remote Similarity	NPC25401
0.6931	Remote Similarity	NPC203628
0.6927	Remote Similarity	NPC224970
0.6927	Remote Similarity	NPC223595
0.6927	Remote Similarity	NPC167724
0.6923	Remote Similarity	NPC264482
0.6923	Remote Similarity	NPC162730
0.6923	Remote Similarity	NPC203202
0.6919	Remote Similarity	NPC477159
0.691	Remote Similarity	NPC471124
0.6906	Remote Similarity	NPC96901
0.6893	Remote Similarity	NPC472101
0.6893	Remote Similarity	NPC106593
0.6893	Remote Similarity	NPC293458
0.6893	Remote Similarity	NPC472120
0.6882	Remote Similarity	NPC97584
0.6878	Remote Similarity	NPC22689
0.6878	Remote Similarity	NPC174629
0.6878	Remote Similarity	NPC105055
0.6865	Remote Similarity	NPC476428
0.6863	Remote Similarity	NPC473041
0.6862	Remote Similarity	NPC181928
0.6853	Remote Similarity	NPC14339
0.6845	Remote Similarity	NPC52262
0.6839	Remote Similarity	NPC90967
0.6837	Remote Similarity	NPC474116
0.6836	Remote Similarity	NPC201424
0.6831	Remote Similarity	NPC129624
0.6829	Remote Similarity	NPC184437
0.6824	Remote Similarity	NPC328824
0.6818	Remote Similarity	NPC123241
0.6818	Remote Similarity	NPC113946
0.6816	Remote Similarity	NPC472106
0.6813	Remote Similarity	NPC251212
0.6813	Remote Similarity	NPC139085
0.6813	Remote Similarity	NPC214626
0.6806	Remote Similarity	NPC55493
0.6798	Remote Similarity	NPC176983
0.6796	Remote Similarity	NPC140311
0.6792	Remote Similarity	NPC474192
0.6792	Remote Similarity	NPC475720
0.6789	Remote Similarity	NPC473298
0.6788	Remote Similarity	NPC303214
0.6786	Remote Similarity	NPC472329
0.6786	Remote Similarity	NPC472330
0.6779	Remote Similarity	NPC473667
0.6772	Remote Similarity	NPC14994
0.6772	Remote Similarity	NPC472323
0.6769	Remote Similarity	NPC241024
0.6768	Remote Similarity	NPC313663
0.6768	Remote Similarity	NPC185742
0.6768	Remote Similarity	NPC475847
0.6766	Remote Similarity	NPC153007
0.6761	Remote Similarity	NPC93343
0.6755	Remote Similarity	NPC473007
0.675	Remote Similarity	NPC325013
0.6748	Remote Similarity	NPC183722
0.6746	Remote Similarity	NPC477155
0.6744	Remote Similarity	NPC476757
0.6742	Remote Similarity	NPC472102
0.6742	Remote Similarity	NPC309531
0.6738	Remote Similarity	NPC159963
0.6738	Remote Similarity	NPC470317
0.6737	Remote Similarity	NPC183805
0.6736	Remote Similarity	NPC221687
0.6736	Remote Similarity	NPC474121
0.6735	Remote Similarity	NPC475489
0.6735	Remote Similarity	NPC214428
0.6728	Remote Similarity	NPC197680
0.6728	Remote Similarity	NPC259098
0.6725	Remote Similarity	NPC475578
0.672	Remote Similarity	NPC11149
0.6718	Remote Similarity	NPC138615
0.6718	Remote Similarity	NPC218733
0.6718	Remote Similarity	NPC132874
0.6718	Remote Similarity	NPC265642
0.6716	Remote Similarity	NPC469743
0.6706	Remote Similarity	NPC473922
0.6705	Remote Similarity	NPC242000
0.6704	Remote Similarity	NPC286871
0.6704	Remote Similarity	NPC85651
0.6703	Remote Similarity	NPC474081
0.6703	Remote Similarity	NPC186669
0.6703	Remote Similarity	NPC476326
0.6702	Remote Similarity	NPC471742
0.6702	Remote Similarity	NPC472119
0.67	Remote Similarity	NPC53344
0.6667	Remote Similarity	NPC6974
0.6667	Remote Similarity	NPC478079
0.6667	Remote Similarity	NPC217801
0.665	Remote Similarity	NPC277350
0.665	Remote Similarity	NPC473837
0.6649	Remote Similarity	NPC476207
0.6649	Remote Similarity	NPC84347
0.6649	Remote Similarity	NPC34717
0.6649	Remote Similarity	NPC476129
0.6649	Remote Similarity	NPC259791
0.6649	Remote Similarity	NPC475607
0.6649	Remote Similarity	NPC476256
0.6649	Remote Similarity	NPC471743
0.6649	Remote Similarity	NPC284706
0.6649	Remote Similarity	NPC476212
0.6649	Remote Similarity	NPC476205
0.6649	Remote Similarity	NPC476206
0.6649	Remote Similarity	NPC476257
0.6647	Remote Similarity	NPC471516
0.6646	Remote Similarity	NPC314098
0.6646	Remote Similarity	NPC205946
0.6633	Remote Similarity	NPC52557
0.6633	Remote Similarity	NPC102008
0.6631	Remote Similarity	NPC15840
0.6627	Remote Similarity	NPC90693

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC278887 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	134
0.1-0.2	444
0.2-0.3	691
0.3-0.4	1101
0.4-0.5	2807
0.5-0.6	3280
0.6-0.7	698
0.7-0.8	6
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
0.7368	Intermediate Similarity	NPD7599	Phase 2
0.725	Intermediate Similarity	NPD5182	Approved
0.725	Intermediate Similarity	NPD5185	Approved
0.725	Intermediate Similarity	NPD5184	Approved
0.7151	Intermediate Similarity	NPD4499	Approved
0.7126	Intermediate Similarity	NPD7600	Phase 2
0.6979	Remote Similarity	NPD4987	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD4335	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD5595	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD7735	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD7463	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD6506	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD3329	Clinical (unspecified phase)
0.6811	Remote Similarity	NPD6833	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD7570	Approved
0.6806	Remote Similarity	NPD7569	Approved
0.6802	Remote Similarity	NPD4682	Phase 2
0.6796	Remote Similarity	NPD7795	Phase 2
0.6795	Remote Similarity	NPD2210	Approved
0.6795	Remote Similarity	NPD2212	Approved
0.6772	Remote Similarity	NPD8103	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD7715	Approved
0.6768	Remote Similarity	NPD7714	Approved
0.6765	Remote Similarity	NPD2387	Approved
0.675	Remote Similarity	NPD6320	Approved
0.6743	Remote Similarity	NPD5811	Approved
0.6722	Remote Similarity	NPD7591	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD8006	Clinical (unspecified phase)
0.6688	Remote Similarity	NPD5631	Phase 3
0.6687	Remote Similarity	NPD5202	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD4948	Discontinued
0.6667	Remote Similarity	NPD3170	Approved
0.6667	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6649	Remote Similarity	NPD8022	Clinical (unspecified phase)
0.6648	Remote Similarity	NPD2844	Phase 3
0.6646	Remote Similarity	NPD6325	Discontinued
0.6646	Remote Similarity	NPD5578	Approved
0.6646	Remote Similarity	NPD5577	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD53	Approved
0.6633	Remote Similarity	NPD7778	Approved
0.6633	Remote Similarity	NPD7777	Approved
0.6632	Remote Similarity	NPD8146	Phase 2
0.6629	Remote Similarity	NPD5715	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD3812	Clinical (unspecified phase)
0.6628	Remote Similarity	NPD7295	Approved
0.6627	Remote Similarity	NPD6311	Approved
0.6627	Remote Similarity	NPD6309	Approved
0.6627	Remote Similarity	NPD6310	Approved
0.6627	Remote Similarity	NPD6522	Clinical (unspecified phase)
0.661	Remote Similarity	NPD5617	Suspended
0.6609	Remote Similarity	NPD4432	Discontinued
0.6609	Remote Similarity	NPD4888	Discontinued
0.6608	Remote Similarity	NPD4430	Phase 2
0.6606	Remote Similarity	NPD4619	Approved
0.6606	Remote Similarity	NPD4621	Approved
0.6599	Remote Similarity	NPD6661	Clinical (unspecified phase)
0.6597	Remote Similarity	NPD4951	Discontinued
0.6588	Remote Similarity	NPD6789	Approved
0.6587	Remote Similarity	NPD2791	Discontinued
0.6585	Remote Similarity	NPD5203	Approved
0.6585	Remote Similarity	NPD4620	Approved
0.6585	Remote Similarity	NPD6359	Clinical (unspecified phase)
0.6585	Remote Similarity	NPD4617	Approved
0.6585	Remote Similarity	NPD5201	Approved
0.6582	Remote Similarity	NPD5003	Discontinued
0.6576	Remote Similarity	NPD1165	Clinical (unspecified phase)
0.6576	Remote Similarity	NPD3824	Phase 1
0.6573	Remote Similarity	NPD2789	Approved
0.6568	Remote Similarity	NPD6655	Clinical (unspecified phase)
0.6566	Remote Similarity	NPD7086	Phase 2
0.6564	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD4602	Approved
0.6558	Remote Similarity	NPD181	Approved
0.6556	Remote Similarity	NPD5599	Discontinued
0.6554	Remote Similarity	NPD4120	Approved
0.6554	Remote Similarity	NPD5086	Approved
0.6554	Remote Similarity	NPD4121	Phase 3
0.655	Remote Similarity	NPD6414	Clinical (unspecified phase)
0.6546	Remote Similarity	NPD5937	Approved
0.6543	Remote Similarity	NPD1036	Approved
0.6543	Remote Similarity	NPD6878	Phase 2
0.6543	Remote Similarity	NPD6879	Phase 2
0.6536	Remote Similarity	NPD3589	Clinical (unspecified phase)
0.6532	Remote Similarity	NPD6017	Discontinued
0.6527	Remote Similarity	NPD5121	Approved
0.6527	Remote Similarity	NPD6346	Approved
0.6527	Remote Similarity	NPD5119	Approved
0.6527	Remote Similarity	NPD5120	Approved
0.6519	Remote Similarity	NPD2994	Approved
0.6517	Remote Similarity	NPD5741	Approved
0.6517	Remote Similarity	NPD5742	Approved
0.6517	Remote Similarity	NPD5743	Approved
0.6516	Remote Similarity	NPD3147	Approved
0.6516	Remote Similarity	NPD3149	Approved
0.6516	Remote Similarity	NPD2659	Approved
0.6516	Remote Similarity	NPD2658	Approved
0.6516	Remote Similarity	NPD3148	Approved
0.6516	Remote Similarity	NPD3150	Approved
0.6515	Remote Similarity	NPD6874	Approved
0.6514	Remote Similarity	NPD5941	Approved
0.6514	Remote Similarity	NPD5881	Clinical (unspecified phase)
0.6514	Remote Similarity	NPD5942	Approved
0.6512	Remote Similarity	NPD6301	Phase 2
0.6512	Remote Similarity	NPD7082	Approved
0.6512	Remote Similarity	NPD2820	Phase 3
0.6512	Remote Similarity	NPD5024	Approved
0.6509	Remote Similarity	NPD2670	Approved
0.6505	Remote Similarity	NPD5466	Approved
0.6503	Remote Similarity	NPD6564	Approved
0.6503	Remote Similarity	NPD2626	Approved
0.6503	Remote Similarity	NPD2159	Approved
0.6503	Remote Similarity	NPD6565	Approved
0.6503	Remote Similarity	NPD6563	Approved
0.6503	Remote Similarity	NPD2625	Approved
0.6503	Remote Similarity	NPD2160	Approved
0.6503	Remote Similarity	NPD2628	Approved
0.6503	Remote Similarity	NPD2627	Approved
0.6497	Remote Similarity	NPD2882	Phase 1
0.6497	Remote Similarity	NPD6476	Clinical (unspecified phase)
0.6497	Remote Similarity	NPD6158	Phase 2
0.6494	Remote Similarity	NPD6416	Phase 2
0.6489	Remote Similarity	NPD5190	Phase 2
0.6486	Remote Similarity	NPD4150	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD5727	Clinical (unspecified phase)
0.6482	Remote Similarity	NPD4601	Approved
0.6482	Remote Similarity	NPD4600	Approved
0.6481	Remote Similarity	NPD5158	Clinical (unspecified phase)
0.6481	Remote Similarity	NPD5159	Phase 2
0.6481	Remote Similarity	NPD5157	Phase 1
0.648	Remote Similarity	NPD6913	Approved
0.648	Remote Similarity	NPD2672	Discontinued
0.648	Remote Similarity	NPD4427	Phase 2
0.6477	Remote Similarity	NPD8025	Phase 2
0.6474	Remote Similarity	NPD7253	Phase 3
0.6474	Remote Similarity	NPD7259	Approved
0.6467	Remote Similarity	NPD1595	Approved
0.6467	Remote Similarity	NPD4986	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD1594	Phase 3
0.6464	Remote Similarity	NPD6524	Clinical (unspecified phase)
0.646	Remote Similarity	NPD2608	Approved
0.646	Remote Similarity	NPD3131	Approved
0.646	Remote Similarity	NPD2609	Approved
0.646	Remote Similarity	NPD4217	Approved
0.646	Remote Similarity	NPD2610	Approved
0.646	Remote Similarity	NPD2612	Approved
0.646	Remote Similarity	NPD3132	Approved
0.646	Remote Similarity	NPD2611	Approved
0.646	Remote Similarity	NPD4218	Approved
0.646	Remote Similarity	NPD4215	Approved
0.646	Remote Similarity	NPD4216	Approved
0.6457	Remote Similarity	NPD7478	Approved
0.6456	Remote Similarity	NPD2117	Pre-registration
0.6456	Remote Similarity	NPD2115	Approved
0.6456	Remote Similarity	NPD2116	Approved
0.6453	Remote Similarity	NPD2365	Approved
0.6452	Remote Similarity	NPD1764	Approved
0.6452	Remote Similarity	NPD1762	Approved
0.6452	Remote Similarity	NPD2607	Approved
0.6448	Remote Similarity	NPD5430	Discontinued
0.6443	Remote Similarity	NPD2564	Approved
0.6443	Remote Similarity	NPD5928	Phase 1
0.6443	Remote Similarity	NPD2565	Phase 2
0.6441	Remote Similarity	NPD5982	Phase 2
0.6441	Remote Similarity	NPD7606	Phase 3
0.6437	Remote Similarity	NPD7740	Clinical (unspecified phase)
0.6436	Remote Similarity	NPD4603	Phase 2
0.6436	Remote Similarity	NPD6323	Clinical (unspecified phase)
0.6433	Remote Similarity	NPD6897	Clinical (unspecified phase)
0.6433	Remote Similarity	NPD989	Approved
0.6432	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD6999	Discontinued
0.6425	Remote Similarity	NPD5257	Clinical (unspecified phase)
0.6424	Remote Similarity	NPD4895	Clinical (unspecified phase)
0.6422	Remote Similarity	NPD2916	Discontinued
0.6417	Remote Similarity	NPD7449	Clinical (unspecified phase)
0.6417	Remote Similarity	NPD5602	Clinical (unspecified phase)
0.6416	Remote Similarity	NPD1625	Approved
0.6413	Remote Similarity	NPD3587	Clinical (unspecified phase)
0.6413	Remote Similarity	NPD4554	Clinical (unspecified phase)
0.641	Remote Similarity	NPD5042	Phase 1
0.641	Remote Similarity	NPD5077	Approved
0.641	Remote Similarity	NPD6630	Clinical (unspecified phase)
0.641	Remote Similarity	NPD5076	Approved
0.6409	Remote Similarity	NPD6060	Clinical (unspecified phase)
0.6404	Remote Similarity	NPD7174	Clinical (unspecified phase)
0.6402	Remote Similarity	NPD5398	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD3776	Discontinued
0.6398	Remote Similarity	NPD2946	Phase 2
0.6391	Remote Similarity	NPD8643	Discontinued
0.6389	Remote Similarity	NPD7105	Phase 1
0.6387	Remote Similarity	NPD7252	Clinical (unspecified phase)
0.6384	Remote Similarity	NPD2737	Clinical (unspecified phase)
0.6382	Remote Similarity	NPD5856	Discontinued
0.6379	Remote Similarity	NPD7488	Clinical (unspecified phase)
0.6379	Remote Similarity	NPD7487	Discontinued
0.6375	Remote Similarity	NPD3031	Approved
0.6375	Remote Similarity	NPD3030	Approved
0.6375	Remote Similarity	NPD5981	Approved
0.6375	Remote Similarity	NPD3032	Approved
0.6374	Remote Similarity	NPD7080	Clinical (unspecified phase)

Structure

CID278887 OpenBabel06191716082D 26 30 0 0 1 0 0 0 0 0999 V2000 -2.9033 -0.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6006 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9393 0.0007 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 2.6831 0.3090 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 1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 2.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1856 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9341 1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8806 1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 2.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7374 1.9332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6878 0.9685 0.0000 C 0 0 1 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 0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 1.5172 0.0000 C 0 0 1 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 -2.2512 0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 0.7642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 1.6180 0.0000 C 0 0 1 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 -2.0662 2.5012 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.2306 0.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 2.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -0.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 26 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 15 2 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 10 1 1 0 0 0 14 3 1 6 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 20 1 1 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 24 2 0 0 0 0 19 26 1 0 0 0 0 20 19 1 6 0 0 0 21 25 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	14061706
ChEMBL	CHEMBL184480
ZINC

Physicochemical Properties

Molecular Weight:	354.19
ALogP:	-1.9767
MLogP:	3.22
XLogP:	2.727
# Rotatable Bonds:	6
Polar Surface Area:	62.13
# H-Bond Aceptor:	5
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	26

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