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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105527
CHEMBL2105527
Compound Name TETRAZEPAM
ChEMBL Synonyms TETRAZEPAM | CB 4261
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C16H17ClN2O

Additional synonyms for CHEMBL2105527 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)CN=C(C2=CCCCC2)c3cc(Cl)ccc13
Standard InChI InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15( ...
Download InChI
Standard InChI Key IQWYAQCHYZHJOS-UHFFFAOYSA-N

Sources

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  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL2105527

Molecule Features

CHEMBL2105527 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 2013
Country European Union
Reason
Class

Mechanism of Action

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

Clinical Data

ClinicalTrials.gov TETRAZEPAM
The Cochrane Collaboration TETRAZEPAM

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2105527. 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
CHEMBL3464 Nitric oxide synthase, inducible Mus musculus 0.722
CHEMBL1844 Macrophage colony stimulating factor receptor Homo sapiens 0.500
CHEMBL3568 Nitric-oxide synthase, brain Homo sapiens 0.204

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 1.000
CHEMBL1844 Macrophage colony stimulating factor receptor Homo sapiens 0.409
CHEMBL3568 Nitric-oxide synthase, brain Homo sapiens 0.405
CHEMBL3772 Metabotropic glutamate receptor 1 Homo sapiens 0.246

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
288.8 288.1029 3.61 1 32.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.1 2.63 2.63 1 20 0.78

Structural Alerts

There are no structural alerts for CHEMBL2105527

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M03 - MUSCLE RELAXANTS
M03B - MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
M03BX - Other centrally acting agents
M03BX07 - tetrazepam

ChemSpider ChemSpider:IQWYAQCHYZHJOS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105527



ACToR 10379-14-3
ChEBI 135198
DrugCentral 2614
EPA CompTox Dashboard DTXSID00146058
FDA SRS FO92091VP8
Human Metabolome Database HMDB0042029
IBM Patent System 2C933A49E1A343EF754FFFDE87B9A575
Nikkaji J10.468J
PubChem 25215
PubChem: Thomson Pharma 14922435
SureChEMBL SCHEMBL157998
ZINC ZINC000000002144

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