GIREDESTRANT |
GIREDESTRANT : Antagoinist, Degrader of ESR1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ESR1 |
|
Antagoinist, Degrader
up to 100 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
GDC-9545 was highly selective against a panel of 220 kinases and 23 human nuclear receptors. Also, i ...
Potency Cellular
In Vitro
ESR1
Mode of Action: Antagoinist, Degrader
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.1c00847
In Vivo Validations
Rat
Dose: 1 mg/Kg
Route of delivery:
Oral
Plasma half life:
8 h
Systemic clearance:
21 mL/min/kg
Bioavailability:
41%
Volume of Distribution at Steady-State:
15 L/Kg
DOI Reference: 10.1021/acs.jmedchem.1c00847
Dog
Dose: 1 mg/Kg
Route of delivery:
Oral
Plasma half life:
24 h
Systemic clearance:
3 mL/min/Kg
Bioavailability:
55%
Volume of Distribution at Steady-State:
5.1 L/Kg
DOI Reference: 10.1021/acs.jmedchem.1c00847
Monkey (Cynomolgus)
Dose: 1 mg/Kg
Route of delivery:
Oral
Plasma half life:
7.3 h
Systemic clearance:
19 mL/min/Kg
Bioavailability:
17%
Volume of Distribution at Steady-State:
9.4 mL/min/Kg
DOI Reference: 10.1021/acs.jmedchem.1c00847
Chemical Information
| Molecular Formula | C27H31F5N4O |
| SMILEs | C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO |
| InChI | InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1 |
| Molecular weight | 522.24 Da |
| AlogP | 4.865400000000005 |
| HBond acceptors | 5 |
| HBond donors | 3 |
| Atoms | 68 |
| PAINS * | Yes |
* This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )