Details of the Drug

General Information of Drug (ID: DMLQO7F)

Drug Name

EVP-6124

Synonyms

Encenicline; EVP-6124; 550999-75-2; UNII-5FI5376A0X; EVP6124; EVP 6124; CHEMBL2151572; (r)-7-chloro-n-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide; 5FI5376A0X; C16H17ClN2OS; 550999-74-1; Encenicline [USAN:INN]; FRM-6124; Encenicline (USAN/INN); SCHEMBL744767; GTPL6926; SSRDSYXGYPJKRR-ZDUSSCGKSA-N; ZINC95579362; BDBM50393255; 3662AH; AKOS027322165; DB11726; CS-0933; MT-4666; Benzo(b)thiophene-2-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-7-chloro-; NCGC00378871-01; HY-15430; W-5978; D10626

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Phase 3	[1]
Schizophrenia	6A20	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

320.8

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C16H17ClN2OS
IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide
Canonical SMILES: C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)Cl
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
InChIKey: SSRDSYXGYPJKRR-ZDUSSCGKSA-N

Cross-matching ID

PubChem CID: 46196517
CAS Number: 550999-75-2
DrugBank ID: DB11726
TTD ID: D0D3TX

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-7 (CHRNA7)	TTLA931	ACHA7_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT02004392) Study of the Safety and Clinical Effects of 2 Doses of EVP-6124 in Subjects With Alzheimer's Disease Who Complete Study EVP-6124-024 or EVP-6124-025. U.S. National Institutes of Health.
2	Normalizing effects of EVP-6124, an alpha-7 nicotinic partial agonist, on event-related potentials and cognition: a proof of concept, randomized trial in patients with schizophrenia. J Psychiatr Pract. 2014 Jan;20(1):12-24.