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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL54349
CHEMBL54349
Compound Name ALPIDEM
ChEMBL Synonyms Alpidem | SL 80.0342-00
Max Phase 0
Trade Names
Molecular Formula C21H23Cl2N3O

Additional synonyms for CHEMBL54349 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)c3ccc(Cl)cc3
Standard InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5- ...
Download InChI
Standard InChI Key JRTIDHTUMYMPRU-UHFFFAOYSA-N

Molecule Features

CHEMBL54349 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 1 structural alerts for CHEMBL54349. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL54349

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 CHEMBL54349. 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
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 1.000
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.999

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 1.000
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.999
CHEMBL221 Cyclooxygenase-1 Homo sapiens 0.330
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.317
CHEMBL1075322 G-protein coupled receptor 55 Homo sapiens 0.245

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
404.3 403.1218 5.47 7 37.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.75 6.27 6.27 3 27 0.52

Compound Cross References

ChemSpider ChemSpider:JRTIDHTUMYMPRU-UHFFFAOYSA-N
PubChem SID: 144207142 SID: 170466634
Wikipedia Alpidem

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL54349



ACToR 82626-01-5
BindingDB 22041
eMolecules 27515798 8748343
FDA SRS I93SC245QZ
IBM Patent System 232B25543D4EFE55917F55D3CBA350E4
MolPort MolPort-006-391-884
Nikkaji J33.130I
PubChem 54897
PubChem: Drugs of the Future 12013630
PubChem: Thomson Pharma 15500057
SureChEMBL SCHEMBL122619
ZINC ZINC00599598

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