GFB-12811 |
GFB-12811 : Inhibitor of CDK5
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CDK5 |
|
|
Inhibitor
1 µM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selective against CDK2 (92x), CDK6 (1390x), CDK7 (312x), CDK9 (389x)
Screened in a set of 54 kinases ...
Potency Cellular
In Vitro
CDK5
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.1c02069
In Vivo Validations
Rat
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
7.6 h
Systemic clearance:
12 mL/min/Kg
Area Under the Curve::
1296 ng*h/mL
Volume of Distribution at Steady-State:
7.3 L/Kg
DOI Reference: 10.1021/acs.jmedchem.1c02069
Dose: 3 mg/Kg
Route of delivery:
Oral
Cmax:
83 ng/mL
Area Under the Curve::
999 ng*h/mL
Bioavailability:
25%
DOI Reference: 10.1021/acs.jmedchem.1c02069
Dose: 10 mg/Kg
Route of delivery:
Oral
Cmax:
350 ng/mL
Area Under the Curve::
5323 ng*h/mL
Bioavailability:
41%
DOI Reference: 10.1021/acs.jmedchem.1c02069
Chemical Information
| Molecular Formula | C22H23F4N5O |
| SMILEs | CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(C(F)(F)F)ncc4F)cc3n2)CC1 |
| InChI | InChI=1S/C22H23F4N5O/c1-21(32,14-5-7-31(2)8-6-14)18-4-3-13-11-28-20(10-16(13)29-18)30-17-9-19(22(24,25)26)27-12-15(17)23/h3-4,9-12,14,32H,5-8H2,1-2H3,(H,27,28,30)/t21-/m1/s1 |
| Molecular weight | 449.18 Da |
| AlogP | 0.0 |
| HBond acceptors | 6 |
| HBond donors | 2 |
| Atoms | 55 |