BMS-986278 |
BMS-986278 : Antagonist of LPAR1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| LPAR1 |
Antagonist
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
The potential for BMS-986278 to inhibit key hepatobiliary transporters was assessed (BSEP and MDR3 I ...
Potency Cellular
In Vitro
LPAR1
Mode of Action: Antagonist
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.1c01256
In Vivo Validations
Mouse
Dose: 1 mg/Kg IV, 3 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
2.5 ± 1.4 h
Systemic clearance:
37 ± 8.0 mL/min/kg
Bioavailability:
70%
Volume of Distribution at Steady-State:
5.5 ± 4.0 L.Kg
DOI Reference: 10.1021/acs.jmedchem.1c01256
Rat
Dose: 1 mg/Kg IV, 3 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
4.5 ± 1.3 h
Systemic clearance:
15 ± 2.7 mL/min/Kg
Bioavailability:
100%
Volume of Distribution at Steady-State:
3.5 ± 1.6 L/Kg
DOI Reference: 10.1021/acs.jmedchem.1c01256
Monkey (Cynomolgus)
Dose: 1 mg/Kg IV, 3 mg/Kg PO
Route of delivery:
Intravenous, Oral
Plasma half life:
11 h
Systemic clearance:
2.0 mL/min/Kg
Bioavailability:
79%
Volume of Distribution at Steady-State:
1.6 L/Kg
DOI Reference: 10.1021/acs.jmedchem.1c01256
Chemical Information
| Molecular Formula | C22H31N5O5 |
| SMILEs | CCCN(C)C(=O)OCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)O)C3)c(C)n2)nnn1C |
| InChI | InChI=1S/C22H31N5O5/c1-5-11-26(3)22(30)31-13-18-20(24-25-27(18)4)17-9-10-19(14(2)23-17)32-16-8-6-7-15(12-16)21(28)29/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,28,29)/t15-,16-/m0/s1 |
| Molecular weight | 445.23 Da |
| AlogP | 3.1861200000000016 |
| HBond acceptors | 10 |
| HBond donors | 1 |
| Atoms | 63 |