BI-665915 |
Inhibitor of ALOX5AP
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ALOX5AP |
|
|
Inhibitor
30 – 500 nM, up to 2500 nM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
Extensive external screens: Invitrogen panel: 546 kinases < 30% inhibition @ 3µM; Panlabs External s ...
Potency Cellular
In Vitro
ALOX5AP
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/jm501185j
In Vivo Validations
Rat
Dose: 1 mg/kg IV, 10 mg/kg PO
Plasma half life:
3.1 h
Systemic clearance:
7 % Qh
Bioavailability:
63 %
Volume of Distribution at Steady-State:
0.9 L/kg
DOI Reference: 10.1021/jm501185j
Dog
Dose: 1 mg/kg IV, 10 mg/kg PO
Plasma half life:
23 h
Systemic clearance:
2.8 % Qh
Bioavailability:
58%
Volume of Distribution at Steady-State:
1.2 L/kg
DOI Reference: 10.1021/jm501185j
Monkey (Cynomolgus)
Dose: 1 mg/kg IV, 10 mg/kg PO
Plasma half life:
4.8 h
Systemic clearance:
3.6 % Qh
Bioavailability:
45 %
Volume of Distribution at Steady-State:
0.5 L/kg
DOI Reference: 10.1021/jm501185j
Negative Control Compounds
BI 0153
Notes: ALOX5AP: IC50 = 670 nM; GPCR scan: Off-target activity for SLC6A3 (Ki=855.0 nM)
Chemical Information
| Molecular Formula | C24H26N8O2 |
| SMILEs | CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1 |
| InChI | InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1 |
| Molecular weight | 458.22 Da |
| AlogP | 0.0 |
| HBond acceptors | 10 |
| HBond donors | 2 |
| Atoms | 60 |
References
Publications
Vendors
Note: This is not an exhaustive list and does not indicate endorsement by the portal.