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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL268254
CHEMBL268254
Compound Name DELORAZEPAM
ChEMBL Synonyms DELORAZEPAM | EN | Chlordesmethyldiazepam | Dadumir
Max Phase 0
Trade Names
Molecular Formula C15H10Cl2N2O

Additional synonyms for CHEMBL268254 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
Standard InChI InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-1 ...
Download InChI
Standard InChI Key CHIFCDOIPRCHCF-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL268254

Molecule Features

CHEMBL268254 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov DELORAZEPAM
The Cochrane Collaboration DELORAZEPAM

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 CHEMBL268254. 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
CHEMBL250 Platelet activating factor receptor Homo sapiens 0.977
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 0.658
CHEMBL208 Progesterone receptor Homo sapiens 0.329

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL250 Platelet activating factor receptor Homo sapiens 0.986
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 0.843
CHEMBL3788 Serine/threonine-protein kinase PLK4 Homo sapiens 0.694
CHEMBL208 Progesterone receptor Homo sapiens 0.288
CHEMBL5023 p53-binding protein Mdm-2 Homo sapiens 0.236

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
305.2 304.017 3.63 1 41.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.58 2.22 2.94 2.94 2 20 0.87

Structural Alerts

There are no structural alerts for CHEMBL268254

Compound Cross References

ChemSpider ChemSpider:CHIFCDOIPRCHCF-UHFFFAOYSA-N
Wikipedia Delorazepam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL268254



ACToR 2894-67-9
BindingDB 50026858
ChEBI 135295
DrugBank DB01511
DrugCentral 800
eMolecules 537638 33582487
EPA CompTox Dashboard DTXSID70183137
FDA SRS O91W32476G
IBM Patent System BD911F50C46DD3ECB2233C455DFEF487
Mcule MCULE-8414231364
MolPort MolPort-000-745-309
Nikkaji J7.928F
PubChem 17925
PubChem: Thomson Pharma 15189451
SureChEMBL SCHEMBL157332
ZINC ZINC01255325

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