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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104926
CHEMBL2104926
Compound Name CINOLAZEPAM
ChEMBL Synonyms CINOLAZEPAM
Max Phase 0
Trade Names
Molecular Formula C18H13ClFN3O2

Additional synonyms for CHEMBL2104926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1N=C(c2ccccc2F)c3cc(Cl)ccc3N(CCC#N)C1=O
Standard InChI InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5- ...
Download InChI
Standard InChI Key XAXMYHMKTCNRRZ-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2104926

Molecule Features

CHEMBL2104926 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CINOLAZEPAM
The Cochrane Collaboration CINOLAZEPAM

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2104926. 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
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.858

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.931
CHEMBL298 Cholecystokinin B receptor Homo sapiens 0.920

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
357.8 357.068 2.9 3 76.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.53 - 2.24 2.24 2 25 0.92

Structural Alerts

There are no structural alerts for CHEMBL2104926

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CD - Benzodiazepine derivatives
N05CD13 - cinolazepam

ChemSpider ChemSpider:XAXMYHMKTCNRRZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104926



ACToR 75696-02-5
ChEBI 59514
DrugBank DB01594
DrugCentral 656
Human Metabolome Database HMDB0015533
IBM Patent System F0ADD95D8FF4CDD8072CE98CD6A06097
Nikkaji J395.106E
PharmGKB PA164748034
PubChem 3033621
PubChem: Drugs of the Future 12013302
PubChem: Thomson Pharma 15497116
SureChEMBL SCHEMBL415075

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