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Details

Stereochemistry ACHIRAL
Molecular Formula C23H20F3N5O2
Molecular Weight 455.4324
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Redafamdastat

SMILES

FC(F)(F)C1=CN=C(OC2=CC(C=C3CCN(CC3)C(=O)NC4=NN=CC=C4)=CC=C2)C=C1

InChI

InChIKey=BATCTBJIJJEPHM-UHFFFAOYSA-N
InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)

HIDE SMILES / InChI

Molecular Formula C23H20F3N5O2
Molecular Weight 455.4324
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

PF-04457845 is a fatty acid amide hydrolase 1 inhibitor developed by Pfizer for the treatment of inflammatory and noninflammatory pain disorders. The drug was tested in phase II in patients with osteoarthritis of the knee, but found to have the same effect as placebo. It was also assessed in phase II clinical trial for its effect on marijuana withdrawal and Tourette syndrome.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
7.2 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
Unknown
Primary
Unknown
Curative
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
129 ng/mL
8 mg 1 times / day multiple, oral
PF-04457845 plasma
Homo sapiens
442 ng/mL
40 mg single, oral
PF-04457845 plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
1420 ng × h/mL
8 mg 1 times / day multiple, oral
PF-04457845 plasma
Homo sapiens
6048 ng × h/mL
40 mg single, oral
PF-04457845 plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
21.9 h
8 mg 1 times / day multiple, oral
PF-04457845 plasma
Homo sapiens
22.8 h
40 mg single, oral
PF-04457845 plasma
Homo sapiens

PubMed

Sample Use Guides

In Vivo Use Guide
Take 4 mg tablet once daily
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
H4C81M8YYW
Record Status Validated (UNII)
Record Version