Synonyms
Status
Molecule Category Salt-form
UNII Y6581YAW9V

Structure

InChI Key FMCPYRDGUZBOJZ-BTQNPOSSSA-N
Smiles N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1.O=P(O)(O)O
InChI
InChI=1S/C13H10FN3.H3O4P/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13;1-5(2,3)4/h1,3,5,7-8,13H,2,4H2;(H3,1,2,3,4)/t13-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H13FN3O4P
Molecular Weight 325.24
AlogP 2.43
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 41.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Cytochrome P450 11B1 inhibitor INHIBITOR FDA

Target Conservation

Protein: Cytochrome P450 11B1

Description: Cytochrome P450 11B1, mitochondrial

Organism : Homo sapiens

P15538 ENSG00000160882

Cross References

Resources Reference
ChEMBL CHEMBL3707393
FDA SRS Y6581YAW9V
PubChem 71009737
SureChEMBL SCHEMBL13837602