PF-05175157

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Synonyms
Status
Molecule Category Free-form
UNII P826WR56FI

Structure

InChI Key BDXXSFOJPYSYOC-UHFFFAOYSA-N
Smiles Cc1nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2[nH]1
InChI
InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27N5O2
Molecular Weight 405.5
AlogP 3.7
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 83.88
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Acetyl-CoA carboxylase inhibitor INHIBITOR PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Ligase
- 23.5-45 - - -
Enzyme
- 23.5-45 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 27-98 - - -
Rattus norvegicus
29.9-870 23.5-50.4 - - 82

Cross References

Resources Reference
ChEMBL CHEMBL3359265
DrugBank DB12096
FDA SRS P826WR56FI
PubChem 52934180
SureChEMBL SCHEMBL1892015
ZINC ZINC000117445039
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