GFB-12630 |
GFB-12630 : 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
up to 1 µM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
GFB-12630 was tested in NanoBRET assays developed against other CDK family members, confirming the c ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
GFB-12630 was selective within family against CDK2 (IC50 301 nM), CDK6 (IC50 701 nM), CDK7 (IC50 334 ...
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
Mouse
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
3.1 h
Systemic clearance:
76.8 mL/min/Kg
Area Under the Curve::
207 ng*h/mL
Volume of Distribution at Steady-State:
15.1 L/Kg
DOI Reference: 10.1021/acs.jmedchem.1c02069
Dose: 10 mg/Kg
Route of delivery:
Intraperitoneal
Cmax:
1350 ng/mL
Area Under the Curve::
3329 ng*h/mL
Bioavailability:
153%
DOI Reference: 10.1021/acs.jmedchem.1c02069
Rat
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
2.7 h
Systemic clearance:
53 mL/min/Kg
Area Under the Curve::
305 ng*h/mL
Volume of Distribution at Steady-State:
9.4 L/Kg
DOI Reference: 10.1021/acs.jmedchem.1c02069
Dose: 3 mg/Kg
Route of delivery:
Oral
Cmax:
19 mg/mL
Area Under the Curve::
143 ng*h/mL
Bioavailability:
16%
DOI Reference: 10.1021/acs.jmedchem.1c02069
Chemical Information
| Molecular Formula | C25H31FN6O2 |
| SMILEs | CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)ncc4F)cc3n2)CC1 |
| InChI | InChI=1S/C25H31FN6O2/c1-25(33,18-5-7-31(2)8-6-18)22-4-3-17-15-27-23(13-20(17)29-22)30-21-14-24(28-16-19(21)26)32-9-11-34-12-10-32/h3-4,13-16,18,33H,5-12H2,1-2H3,(H,27,28,30)/t25-/m1/s1 |
| Molecular weight | 466.25 Da |
| AlogP | 0.0 |
| HBond acceptors | 8 |
| HBond donors | 2 |
| Atoms | 65 |