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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9298
CHEMBL9298
Compound Name FADROZOLE
ChEMBL Synonyms FADROZOLE HYDROCHLORIDE | FADROZOLE | CGS 16949A | CGS-16949A
Max Phase 0
Trade Names
Molecular Formula C14H13N3

Additional synonyms for CHEMBL9298 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N#Cc1ccc(cc1)C2CCCc3cncn23
Standard InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10 ...
Download InChI
Standard InChI Key CLPFFLWZZBQMAO-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL9298

Molecule Features

CHEMBL9298 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FADROZOLE
The Cochrane Collaboration FADROZOLE

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 CHEMBL9298. 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
CHEMBL2722 Cytochrome P450 11B2 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 1.000
CHEMBL4158 Fatty acid synthase Homo sapiens 0.993

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2722 Cytochrome P450 11B2 Homo sapiens 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL1908 Cytochrome P450 11B1 Homo sapiens 1.000
CHEMBL4135 Geranylgeranyl transferase type I beta subunit Homo sapiens 0.992
CHEMBL4158 Fatty acid synthase Homo sapiens 0.988
CHEMBL240 HERG Homo sapiens 0.279

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
223.3 223.1109 2.27 1 41.61 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.16 1.48 1.29 2 17 0.74

Structural Alerts

There are no structural alerts for CHEMBL9298

Compound Cross References

ChemSpider ChemSpider:CLPFFLWZZBQMAO-UHFFFAOYSA-N
Wikipedia Fadrozole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9298



ACToR 102676-47-1
BindingDB 8611
Brenda 6216
ChEBI 94355
DrugCentral 1126
EPA CompTox Dashboard DTXSID5034141
Guide to Pharmacology 8311
IBM Patent System 5A6AA95437988BA36F1EE40F6F9192C1
LINCS LSM-5015
MolPort MolPort-005-940-728
Nikkaji J366.696D
PubChem 59693
PubChem: Drugs of the Future 12013788
PubChem: Thomson Pharma 15196027
SureChEMBL SCHEMBL25491

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