Structure

InChI Key FMCPYRDGUZBOJZ-BTQNPOSSSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 41.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEMBL CHEMBL3707393
FDA SRS Y6581YAW9V
PubChem 71009737
SureChEMBL SCHEMBL13837602