fadrozole   Click here for help

GtoPdb Ligand ID: 8311

Synonyms: Afema® | CGS 16949 A [1] | CGS-16949A | FAD 286 | FAD-286
Approved drug
fadrozole is an approved drug (Japan only)
Compound class: Synthetic organic
Comment: Fadrozole was designed and reported as a selective aromatase (CYP19A1) inhibitor having only weak effects on aldosterone and cortisol production [1]. More recent evidence suggests that fadrozole is in fact a potent inhibitor of the cytochrome P450 enzymes, CYP11B1 (11-beta-hydroxylase) and CYP11B2 (aldosterone synthase) responsible for cortisol and aldosterone synthesis respectively [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 41.61
Molecular weight 223.11
XLogP 3.1
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc(cc1)C1CCCc2n1cnc2
Isomeric SMILES N#Cc1ccc(cc1)C1CCCc2n1cnc2
InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan only)
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6632 fadrozole
Synonyms Click here for help
Afema® | CGS 16949 A [1] | CGS-16949A | FAD 286 | FAD-286
Database Links Click here for help
CAS Registry No. 102676-47-1 (source: Scifinder)
ChEMBL Ligand CHEMBL9298
DrugCentral Ligand 1126
GtoPdb PubChem SID 252166523
PubChem CID 59693
Search Google for chemical match using the InChIKey CLPFFLWZZBQMAO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CLPFFLWZZBQMAO
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SynPHARM 81950 (in complex with CYP11B2)
UniChem Compound Search for chemical match using the InChIKey CLPFFLWZZBQMAO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CLPFFLWZZBQMAO-UHFFFAOYSA-N