JNJ-54119936 |
JNJ-54119936 : Inverse Agonist of RORC
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| RORC |
|
|
Inverse Agonist
Up to 1µM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selectivity within target family - RORA TF qKD > 75 µM; RORB TF qKD > 75 µM
Nuclear receptor selecti ...
Potency Cellular
In Vitro
RORC
Mode of Action: Inverse Agonist
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1038/s41598-021-90497-9
In Vivo Validations
Mouse
Dose: 3, 10, 30, 100 mg/kg BID or 60 mg/kg QD
Route of delivery:
Oral
Target engagement assay:
Active in murine ex vivo PK/PD model, mouse collagen-induced arthritis model.
DOI Reference: 10.1038/s41598-021-90497-9
Rat
Dose: 1 mg/kg
Route of delivery:
Intravenous
Plasma half life:
7.0 h
Systemic clearance:
11 mL/min/kg
Volume of Distribution at Steady-State:
5.7 L/kg
DOI Reference: 10.1038/s41598-021-90497-9
Dose: 5 mg/kg
Route of delivery:
Oral
Plasma half life:
4.0 h
Cmax:
273 ng/ml
Fb :
60%
DOI Reference: 10.1038/s41598-021-90497-9
Negative Control Compounds
CANSAR3452631
Notes: JNJ53721590: TF qKD = 515.7 nM (~ 100 fold) 1-hybrid LBD at 6 µM: IC50 = 670 nM (87% inhibition) (> 20 fold) hWB assay: IC50 > 10 µM (> 30 fold))
Chemical Information
| Molecular Formula | C34H33ClN4O3 |
| SMILEs | COc1nc2ccc([C@@](O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(-n2cccn2)cc1 |
| InChI | InChI=1S/C34H33ClN4O3/c1-23(40)38-19-15-26(16-20-38)34(41,25-7-4-3-5-8-25)27-11-14-31-29(22-27)32(35)30(33(37-31)42-2)21-24-9-12-28(13-10-24)39-18-6-17-36-39/h3-14,17-18,22,26,41H,15-16,19-21H2,1-2H3/t34-/m1/s1 |
| Molecular weight | 580.22 Da |
| AlogP | 0.0 |
| HBond acceptors | 7 |
| HBond donors | 1 |
| Atoms | 75 |