Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Y1H4D2VKZD

Structure

InChI Key FLZZFWBNYJNHMY-UHFFFAOYSA-N
Smile CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C)cc(C)nc12
InChI
InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27FN4O2
Molecular Weight 398.48
AlogP 3.77
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 59.73
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- - - 1-10 -

Cross References

Resources Reference
ChEMBL CHEMBL512306
FDA SRS Y1H4D2VKZD
SureChEMBL SCHEMBL2513934
ZINC ZINC000040395766