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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL308005
CHEMBL308005
Compound Name MIFENTIDINE
ChEMBL Synonyms Mifentidine
Max Phase 0
Trade Names
Molecular Formula C13H16N4

Additional synonyms for CHEMBL308005 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)\N=C\Nc1ccc(cc1)c2c[nH]cn2
Standard InChI InChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8 ...
Download InChI
Standard InChI Key GOZUADYOHPCXLE-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL308005

Molecule Features

CHEMBL308005 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 MIFENTIDINE
The Cochrane Collaboration MIFENTIDINE

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 CHEMBL308005. 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
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.975

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.784

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
228.3 228.1375 2.93 4 53.07 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.2 2.73 1.82 2 17 0.62

Structural Alerts

There are 2 structural alerts for CHEMBL308005. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GOZUADYOHPCXLE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL308005



BindingDB 50406535 22892
EPA CompTox Dashboard DTXSID00232208
FDA SRS 2F70KF5S0K
IBM Patent System E3DE4F0DFEDB97E99DAB01573BC1DCD7 B60F2A62ABDC93A2EC02809EEC648A03
Nikkaji J33.098A
PubChem 71263
PubChem: Drugs of the Future 12013093
PubChem: Thomson Pharma 15121602
SureChEMBL SCHEMBL33303
ZINC ZINC000001999466

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