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NVP-CRL-457 | NVP-CRL-457 : Inhibitor of PIK3CA, PIK3CB, PIK3CG
RATINGS:
Cellular Use: (0 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
PIK3CA
  • IC50:12 nM
  • IC50:42 nM
PIK3CB
  • IC50:8.3 nM
  • IC50:65 nM
PIK3CG
  • IC50:8.3 nM
  • IC50:26 nM
Inhibitor
up to 1 µM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Internal kinase profiling indicated a favourable selectivity profile versus 92 biochemical assays (t ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
Internal kinase profiling indicated a favourable selectivity profile versus 46 BaF3 cellular assays ...

Potency
Cellular
In Vitro

PIK3CA

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.2c00267

PIK3CB

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.2c00267

PIK3CG

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1021/acs.jmedchem.2c00267

In Vivo Validations

Mouse
Dose: 3 mg/Kg IV, 10 mg/Kg PO
Route of delivery: Intravenous, Oral
Plasma half life: 2 h
Systemic clearance: 10 mL/min/Kg
Cmax: 422 nM
Tmax: 0.5 h
Area Under the Curve:: 3580 (IV), 1738 (PO) nM*h
Fb : 76%
Bioavailability: 49%
Volume of Distribution at Steady-State: 2 L/Kg

DOI Reference: 10.1021/acs.jmedchem.2c00267

Dog
Dose: 0.1 mg/Kg IV, 0.3 mg/Kg PO
Route of delivery: Intravenous, Oral
Systemic clearance: 3 mL/min/Kg
Cmax: 1121 nM
Tmax: 1.3 h
Area Under the Curve:: 11213 (IV), 11034 (PO) nM*h
Fb : 71%
Bioavailability: 98%
Volume of Distribution at Steady-State: 1.5 L/Kg

DOI Reference: 10.1021/acs.jmedchem.2c00267

Rat
Dose: 1 mg/Kg IV, 3 mg/Kg PO
Route of delivery: Intravenous, Oral
Plasma half life: 3.3 h
Systemic clearance: 22 mL/min/Kg
Area Under the Curve:: 1770 nM*h (IV)
Bioavailability: 97%
Volume of Distribution at Steady-State: 4.4 L/Kg

DOI Reference: 10.1021/acs.jmedchem.2c00267

Negative Control Compounds

CANSAR3622970
Notes: cpd 16: Activity against PIK3 IC50s 1170 nM (Alpha), 8220 nM (Beta), 5220 nM (Gamma)

Orthogonal Probes def

PICTILISIB
AZD-6482
BYL719
LENIOLISIB PHOSPHATE
PI-3065

Chemical Information

Molecular Formula C19H21F3N6O4
SMILEs C[C@H]1OC(=O)C(c2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)[C@H]1CO
InChI InChI=1S/C19H21F3N6O4/c1-9-11(8-29)14(16(30)32-9)13-6-12(25-18(26-13)28-2-4-31-5-3-28)10-7-24-17(23)27-15(10)19(20,21)22/h6-7,9,11,14,29H,2-5,8H2,1H3,(H2,23,24,27)/t9-,11+,14?/m1/s1
Molecular weight 454.16 Da
AlogP 0.0
HBond acceptors 10
HBond donors 3
Atoms 53

References

Publications

Cross References

canSAR

Expert Reviews

No SERP comments found for NVP-CRL-457

Probe NVP-CRL-457 is in the process of SERP review.

Please continue to check back for new reviews and commentary.