PF-04776548

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CBR15S3HNJ

Structure
InChI Key OYKZKGBMHATGTA-UHFFFAOYSA-N
Smile COc1cc(F)ccc1Cn1ccc2c3c(ncc21)C(=O)N(O)CC3
InChI
InChI=1S/C18H16FN3O3/c1-25-16-8-12(19)3-2-11(16)10-21-6-4-13-14-5-7-22(24)18(23)17(14)20-9-15(13)21/h2-4,6,8-9,24H,5,7,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H16FN3O3
Molecular Weight 341.34
AlogP 2.62
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 67.59
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 41 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 1 D015658 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3219143
FDA SRS CBR15S3HNJ
ZINC ZINC000169326987
CONTENTS