General Information of the Compound
Compound ID
CP0159901
Compound Name
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide
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Synonyms
(r)-7-chloro-n-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide
3662AH
550999-74-1
550999-75-2
5FI5376A0X
AKOS027322165
BDBM50393255
Benzo(b)thiophene-2-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-7-chloro-
C16H17ClN2OS
CHEMBL2151572
CS-0933
D10626
DB11726
EVP 6124
EVP-6124
EVP6124
Encenicline
Encenicline (USAN/INN)
Encenicline [USAN:INN]
FRM-6124
GTPL6926
HY-15430
MT-4666
NCGC00378871-01
SCHEMBL744767
SSRDSYXGYPJKRR-ZDUSSCGKSA-N
UNII-5FI5376A0X
W-5978
ZINC95579362
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Structure
Formula
C16H17ClN2OS
Molecular Weight
320.845
Canonical SMILES
Clc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2
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InChI
InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1
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InChIKey
SSRDSYXGYPJKRR-ZDUSSCGKSA-N
CAS
550999-75-2
Physicochemical Property
logP
3.3787
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46196517
SID: 96062776
ChEMBL ID
CHEMBL2151572
DrugBank ID
DB11726
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 9.98 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 4.3 nM
Clinical Information about the Compound
Drug 1 ( EVP-6124 )
Drug Name EVP-6124
Company EnVivo Pharmaceuticals
Indication
Schizophrenia
Phase 3
Alzheimer disease
Phase 3
Target(s)
Neuronal acetylcholine receptor alpha-7 (CHRNA7)
 Target Info 
Modulator