AZD-5672 |
AZD-5672 : Antagonist of CCR5
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CCR5 |
|
|
Antagonist
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
weak or no inhibition of the 5 major cytochrome P450 (CYP) isoforms, with IC50s for CYP1A1, CYP2C9, ...
Potency Cellular
In Vitro
CCR5
Mode of Action: Antagonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.bmcl.2011.12.117
In Vivo Validations
Rat
Dose: 1-2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
2.1 h
Systemic clearance:
38 mL/min/Kg
Volume of Distribution at Steady-State:
5.0 L/Kg
DOI Reference: 10.1016/j.bmcl.2011.12.117
Dose: 2-5 mg/Kg
Route of delivery:
Oral
Bioavailability:
41%
DOI Reference: 10.1016/j.bmcl.2011.12.117
Dog
Dose: 1-2 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
3.8-3.9 h
Systemic clearance:
15-22 mL/min/Kg
Volume of Distribution at Steady-State:
4.5-5.8 L/Kg
DOI Reference: 10.1016/j.bmcl.2011.12.117
Dose: 2-5 mg/Kg
Route of delivery:
Oral
Bioavailability:
46-51%
DOI Reference: 10.1016/j.bmcl.2011.12.117
Chemical Information
| Molecular Formula | C32H44F2N2O5S2 |
| SMILEs | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCC(S(C)(=O)=O)CC2)CC1 |
| InChI | InChI=1S/C32H44F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-6,9-10,20-22,24,28,30-31H,4,7-8,11-19H2,1-3H3/t24?,30?,31-/m1/s1 |
| Molecular weight | 638.27 Da |
| AlogP | 5.001 |
| HBond acceptors | 7 |
| HBond donors | -- |
| Atoms | 87 |
Vendors
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