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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2151572
CHEMBL2151572
Compound Name ENCENICLINE
ChEMBL Synonyms EVP-6124 | MT-4666 | ENCENICLINE HYDROCHLORIDE | ENCENICLINE
Max Phase 3
Trade Names
Molecular Formula C16H17ClN2OS

Additional synonyms for CHEMBL2151572 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc2cc(sc12)C(=O)N[C@H]3CN4CCC3CC4
Standard InChI InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20 ...
Download InChI
Standard InChI Key SSRDSYXGYPJKRR-ZDUSSCGKSA-N

Sources

  • Clinical Candidates
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2151572

Molecule Features

CHEMBL2151572 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Neuronal acetylcholine receptor protein alpha-7 subunit partial agonist Neuronal acetylcholine receptor protein alpha-7 subunit PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DementiaD003704HP:0000726dementia3ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease3ClinicalTrials
ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia2ClinicalTrials
ClinicalTrials
Psychotic DisordersD011618EFO:0005411schizoaffective disorder1ClinicalTrials
Liver DiseasesD008107EFO:0001421liver disease1ClinicalTrials

Clinical Data

ClinicalTrials.gov ENCENICLINE
The Cochrane Collaboration ENCENICLINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2151572. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 1.000
CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit Rattus norvegicus 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 1.000
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 0.989

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 1.000
CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit Rattus norvegicus 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 1.000
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 0.993
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.395

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
320.9 320.075 3.38 2 32.34 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.53 9.67 2.01 -.43 2 21 0.92

Structural Alerts

There are no structural alerts for CHEMBL2151572

Compound Cross References

ChemSpider ChemSpider:SSRDSYXGYPJKRR-ZDUSSCGKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2151572



BindingDB 50393255
DrugBank DB11726
FDA SRS 5FI5376A0X
Guide to Pharmacology 6926
IBM Patent System 25F1A53D96D72949C2B955F232A503CF
LINCS LSM-45538
MolPort MolPort-046-156-794
Nikkaji J3.275.347G
PubChem 46196517
PubChem: Thomson Pharma 96050357 96062776
SureChEMBL SCHEMBL744767
ZINC ZINC000095579362

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/SSRDSYXGYPJKRR-ZDUSSCGKSA-N spacer
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