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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9506
CHEMBL9506
Compound Name DEVAZEPIDE
ChEMBL Synonyms MK-329 | L-364,718 | DEVAZEPIDE | L-364718
Max Phase 0
Trade Names
Molecular Formula C25H20N4O2

Additional synonyms for CHEMBL9506 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c4ccccc4)c5ccccc15
Standard InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-1 ...
Download InChI
Standard InChI Key NFHRQQKPEBFUJK-HSZRJFAPSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL9506

Molecule Features

CHEMBL9506 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov DEVAZEPIDE
The Cochrane Collaboration DEVAZEPIDE

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 CHEMBL9506. 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
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 1.000
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL1901 Cholecystokinin A receptor Homo sapiens 1.000
CHEMBL3501 Cholecystokinin A receptor Cavia porcellus 1.000
CHEMBL3526 Muscle glycogen phosphorylase Homo sapiens 1.000
CHEMBL2568 Liver glycogen phosphorylase Homo sapiens 0.988
CHEMBL1163125 Bromodomain-containing protein 4 Homo sapiens 0.305
CHEMBL3254 Monoamine oxidase A Bos taurus 0.224



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 1.000
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000
CHEMBL3526 Muscle glycogen phosphorylase Homo sapiens 1.000
CHEMBL1901 Cholecystokinin A receptor Homo sapiens 1.000
CHEMBL3501 Cholecystokinin A receptor Cavia porcellus 1.000
CHEMBL2568 Liver glycogen phosphorylase Homo sapiens 0.997
CHEMBL2854 Cholecystokinin B receptor Mus musculus 0.711
CHEMBL3254 Monoamine oxidase A Bos taurus 0.411

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
408.5 408.1586 4.37 3 77.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.25 3.18 4.74 4.74 4 31 0.53

Structural Alerts

There are no structural alerts for CHEMBL9506

Compound Cross References

ChemSpider ChemSpider:NFHRQQKPEBFUJK-HSZRJFAPSA-N
PubChem SID: 144205297 SID: 170466556 SID: 29215529
Wikipedia Devazepide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9506



ACToR 103420-77-5
BindingDB 50005463
ChEBI 4460
eMolecules 5758573
EPA CompTox Dashboard DTXSID2046092
FDA SRS JE6P7QY7NH
IBM Patent System 50D1DF2DDEF59425B76F7ED7F3960A6A
KEGG Ligand C11710
LINCS LSM-2674
MolPort MolPort-003-666-871
Nikkaji J273.248C
PubChem 443375
PubChem: Drugs of the Future 12014059
PubChem: Thomson Pharma 14928689 14830936
SureChEMBL SCHEMBL148766
ZINC ZINC000001847292

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