D6-3 |
D6-3 : Covalent Inhibitor of CTSL
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download
Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CTSL |
|
|
Covalent Inhibitor
up to 10 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
D6-3 inhibitor activity was measured on seven human proteases @ 10 uM. Among them, TMPRSS2, human tr ...
Selectivity Assessment Description:
D6-3 did show inhibition against CatB, CatV, and CatS. Kinact/Ki values of D6–3 for other cathepsins ...
Potency Cellular
In Vitro
CTSL
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.4c00656
In Vivo Validations
Rat
Dose: 10.0 mg/kg
Route of delivery:
Intraperitoneal
Plasma half life:
8.5 h
Systemic clearance:
3070 (ml/h/kg)
Cmax:
437 ng/mL
Tmax:
2.33 h
Area Under the Curve::
2380 (h*ng/mL)
DOI Reference: 10.1021/acs.jmedchem.4c00656
Dose: 25.0 mg/kg
Route of delivery:
Oral
Plasma half life:
Non-detectable
Systemic clearance:
Non-detectable
Cmax:
Non-detectable
Tmax:
Non-detectable
Area Under the Curve::
Non-detectable
DOI Reference: 10.1021/acs.jmedchem.4c00656
Chemical Information
| Molecular Formula | C30H26ClFN2O3 |
| SMILEs | O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl)c1cccc2ccccc12 |
| InChI | InChI=1S/C30H26ClFN2O3/c31-19-28(35)26(17-20-7-2-1-3-8-20)33-30(37)27(18-21-13-15-23(32)16-14-21)34-29(36)25-12-6-10-22-9-4-5-11-24(22)25/h1-16,26-27H,17-19H2,(H,33,37)(H,34,36)/t26-,27-/m0/s1 |
| Molecular weight | 516.16 Da |
| AlogP | 4.855400000000004 |
| HBond acceptors | 5 |
| HBond donors | 2 |
| Atoms | 63 |