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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL328250
CHEMBL328250
Compound Name ADINAZOLAM
ChEMBL Synonyms ADINAZOLAM MESYLATE | U-41,123F | U-41,123 | ADINAZOLAM
Max Phase 0
Trade Names
Molecular Formula C19H18ClN5

Additional synonyms for CHEMBL328250 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12
Standard InChI InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3 ...
Download InChI
Standard InChI Key GJSLOMWRLALDCT-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL328250

Molecule Features

CHEMBL328250 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ANXIETYD001007EFO:0005230ANXIETY4ATC

Clinical Data

ClinicalTrials.gov ADINAZOLAM
The Cochrane Collaboration ADINAZOLAM

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 CHEMBL328250. 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 1.000
CHEMBL1889 Vasopressin V1a receptor Homo sapiens 1.000
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.998
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.263

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL250 Platelet activating factor receptor Homo sapiens 1.000
CHEMBL1889 Vasopressin V1a receptor Homo sapiens 1.000
CHEMBL1962 GABA receptor alpha-1 subunit Homo sapiens 0.996
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.216

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
351.8 351.1251 3.52 3 46.31 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.09 1.27 1.08 3 25 0.72

Structural Alerts

There are no structural alerts for CHEMBL328250

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05B - ANXIOLYTICS
N05BA - Benzodiazepine derivatives
N05BA07 - adinazolam

ChemSpider ChemSpider:GJSLOMWRLALDCT-UHFFFAOYSA-N
Wikipedia Adinazolam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL328250



ACToR 37115-32-5
BindingDB 82439
ChEBI 251412
DrugBank DB00546
DrugCentral 93
EPA CompTox Dashboard DTXSID40190611
FDA SRS KN08449444
Human Metabolome Database HMDB0014686
IBM Patent System F16A04D90DCA9BF62F16AC565345DBAF
Nikkaji J19.718A
PharmGKB PA164783813
PubChem 37632
PubChem: Drugs of the Future 12013114
PubChem: Thomson Pharma 14852028
SureChEMBL SCHEMBL35430
ZINC ZINC000004214740

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