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BI 1950 | BI 1950 : Inhibitor of ITGAL
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
ITGAL
  • Kd:9 nM
  • IC50:3 nM
  • IC50:120 nM
Inhibitor
100 nM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selectivity within target family: Selective (>1000 fold) against closely related ITGB2 and ITGB1. Se ...

Potency
Cellular
In Vitro

ITGAL

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1002/jlcr.3698

In Vivo Validations

Mouse
Dose: 3 mg/Kg
Route of delivery: Intravenous, Oral
Plasma half life: 7.2 h
Systemic clearance: 8 %QH
Bioavailability: 154%
Volume of Distribution at Steady-State: 3.3 L/Kg

DOI Reference: 10.1002/jlcr.3698

Dose: 3 mg/Kg
Route of delivery: Intravenous, Oral
Plasma half life: 6.5 h
Systemic clearance: 11 %QH
Bioavailability: 21%
Volume of Distribution at Steady-State: 2.7 L/Kg

DOI Reference: 10.1002/jlcr.3698

Negative Control Compounds

BI 9446
Notes: Inhibits binding to ICAM1, Kd > 1000 nM; Inhibits SEB-induced production of IL2 in human PBMC, IC50 > 1000 nM; Clean GPCR scan except for activity on TMEM97 (Ki = 557.65 nM)

Chemical Information

Molecular Formula C32H26Cl2FN7O3
SMILEs C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(C#N)cc1)C(=O)N2c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(c2ccccn2)CC1
InChI InChI=1S/C32H26Cl2FN7O3/c1-18(27(43)40-32(10-11-32)25-5-3-4-12-37-25)39-28(44)24-17-38-30-41(21-13-22(33)26(35)23(34)14-21)29(45)31(2,42(24)30)15-19-6-8-20(16-36)9-7-19/h3-9,12-14,17-18H,10-11,15H2,1-2H3,(H,39,44)(H,40,43)/t18-,31+/m0/s1
Molecular weight 645.15 Da
AlogP 5.155680000000005
HBond acceptors 10
HBond donors 2
Atoms 71

Vendors

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Expert Reviews

by SERP
(on 3 Mar 2022 )
Cellular Use Rating
In Model Organisms
Lymphocyte function-associated antigen 1 (LFA-1) is is a heterodimeric glycoprotein with non-covalently linked subunits ITGAL (CD11a) and ITGB2 (CD18), that is expressed in all leukocytes and involved...
by SERP
(on 11 Mar 2022 )
Cellular Use Rating
In Model Organisms
BI-1950 has both strong binding affinity to the target protein LFA1 and potent activity in IL-2 cellular assays using both PBMCs and whole blood. The plasma protein binding is high, so this should be considered...
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