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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL239800
CHEMBL239800
Compound Name FENOBAM
ChEMBL Synonyms MCN-3377-98 | FENOBAM
Max Phase 1
Trade Names
Molecular Formula C11H11ClN4O2

Additional synonyms for CHEMBL239800 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC(=O)N=C1NC(=O)Nc2cccc(Cl)c2
Standard InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4- ...
Download InChI
Standard InChI Key DWPQODZAOSWNHB-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL239800

Molecule Features

CHEMBL239800 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 FENOBAM
The Cochrane Collaboration FENOBAM

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 CHEMBL239800. 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
CHEMBL3227 Metabotropic glutamate receptor 5 Homo sapiens 0.998
CHEMBL298 Cholecystokinin B receptor Homo sapiens 0.993
CHEMBL2068 Ephrin type-A receptor 2 Homo sapiens 0.949
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 0.878
CHEMBL2250 Tyrosine-protein kinase BLK Homo sapiens 0.839
CHEMBL1955 Vascular endothelial growth factor receptor 3 Homo sapiens 0.709
CHEMBL3501 Cholecystokinin A receptor Cavia porcellus 0.673
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.663
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 0.527
CHEMBL1075167 Homeodomain-interacting protein kinase 4 Homo sapiens 0.527
CHEMBL5608 NT-3 growth factor receptor Homo sapiens 0.416
CHEMBL4708 Serine/threonine-protein kinase MST2 Homo sapiens 0.287
CHEMBL3982 Tyrosine-protein kinase FER Homo sapiens 0.279
CHEMBL5330 Mitogen-activated protein kinase kinase kinase kinase 2 Homo sapiens 0.201



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3227 Metabotropic glutamate receptor 5 Homo sapiens 1.000
CHEMBL2068 Ephrin type-A receptor 2 Homo sapiens 0.945
CHEMBL298 Cholecystokinin B receptor Homo sapiens 0.906
CHEMBL2250 Tyrosine-protein kinase BLK Homo sapiens 0.816
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 0.532
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.489
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 0.460
CHEMBL5608 NT-3 growth factor receptor Homo sapiens 0.437
CHEMBL4375 Serine/threonine-protein kinase SRPK1 Homo sapiens 0.392
CHEMBL1075167 Homeodomain-interacting protein kinase 4 Homo sapiens 0.358

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
266.7 266.0571 1.33 2 73.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.32 1.84 1.39 1.26 1 18 0.85

Structural Alerts

There are no structural alerts for CHEMBL239800

Compound Cross References

ChemSpider ChemSpider:DWPQODZAOSWNHB-UHFFFAOYSA-N
PubChem SID: 144206177 SID: 144207065 SID: 170466272 SID: 174006275 SID: 26753296 SID: 90341711
Wikipedia Fenobam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL239800



ACToR 57653-26-6
BindingDB 50105838
ChEBI 92728
DrugBank DB12931
eMolecules 31240686 4344705
EPA CompTox Dashboard DTXSID5046770
FDA SRS 078RCY7I27
Guide to Pharmacology 1433 1434
IBM Patent System F84A6B10192B6D198DC2F7BDBC3099F5
LINCS LSM-2917
Mcule MCULE-9260864714
MolPort MolPort-002-494-450
Nikkaji J11.862A
PubChem 162834
PubChem: Drugs of the Future 12015575
PubChem: Thomson Pharma 15368151
SureChEMBL SCHEMBL15951593 SCHEMBL111562
ZINC ZINC000000001436

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