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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285674
CHEMBL285674
Compound Name ESTAZOLAM
ChEMBL Synonyms ESTAZOLAM | ABBOTT-47631 | Eurodin | PROSOM
Max Phase 4 (Approved)
Trade Names ESTAZOLAM | Eurodin | PROSOM
Molecular Formula C16H11ClN4

Additional synonyms for CHEMBL285674 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc2c(c1)C(=NCc3nncn23)c4ccccc4
Standard InChI InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11 ...
Download InChI
Standard InChI Key CDCHDCWJMGXXRH-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL285674

Molecule Features

CHEMBL285674 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
GABA-A receptor; anion channel positive allosteric modulator GABA-A receptor; anion channel ISBN PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Sleep Initiation and Maintenance DisordersD007319EFO:0004698insomnia3ClinicalTrials

Clinical Data

ClinicalTrials.gov ESTAZOLAM
The Cochrane Collaboration ESTAZOLAM

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 CHEMBL285674. 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 1.000
CHEMBL250 Platelet activating factor receptor Homo sapiens 0.947
CHEMBL4956 GABA receptor alpha-2 subunit Homo sapiens 0.500

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 1.000
CHEMBL250 Platelet activating factor receptor Homo sapiens 0.925
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.379
CHEMBL4956 GABA receptor alpha-2 subunit Homo sapiens 0.324

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
294.8 294.0672 3.27 1 43.07 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.99 2.52 2.52 3 21 0.69

Structural Alerts

There are no structural alerts for CHEMBL285674

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05C - HYPNOTICS AND SEDATIVES
N05CD - Benzodiazepine derivatives
N05CD04 - estazolam

ChemSpider ChemSpider:CDCHDCWJMGXXRH-UHFFFAOYSA-N
DailyMed estazolam
PubChem SID: 144206162 SID: 50113063
Wikipedia Estazolam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285674



ACToR 29975-16-4
Brenda 34567
ChEBI 4858
DrugBank DB01215
DrugCentral 1056
eMolecules 538014
EPA CompTox Dashboard DTXSID5020572
FDA SRS 36S3EQV54C
Guide to Pharmacology 7550
Human Metabolome Database HMDB0015346
IBM Patent System A0B1882909CC82A5876288CFE171D215
KEGG Ligand C06981
Nikkaji J9.280K
NMRShiftDB 20180178
PharmGKB PA449502
PubChem 3261
PubChem: Thomson Pharma 15419098
SureChEMBL SCHEMBL28766
ZINC ZINC000000001370

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