T-26c |
T-26c : Inhibitor of MMP13
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| MMP13 |
|
Inhibitor
10-100 nM
Selectivity
In Vitro Selectivity Assessment
Potency: IC50 - MMP2: 18 nM, MMP10: 160 nM, MMP3: 600 nM, MMP8: 780 nM
Potency Assay Off-Target:
MMP1, MMP7, MMP9, MMP14, TACE > 10,000 nM
Potency Cellular
In Vitro
MMP13
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
In Vivo Validations
Guinea pig (male)
Dose: 10 mg/kg (oral); 1 mg/kg (IV)
Route of delivery:
Intravenous, Oral
Systemic clearance:
431 mL/h/kg (IV)
Reference: --
Negative Control Compounds
T-26f (5-((benzyl(methyl)amino)methyl)-N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide)
Chemical Information
| Molecular Formula | C24H21N3O6S |
| SMILEs | COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1 |
| InChI | InChI=1S/C24H21N3O6S/c1-32-18-4-2-3-15(9-18)10-25-22(29)20-26-21(28)19-17(13-34-23(19)27-20)12-33-11-14-5-7-16(8-6-14)24(30)31/h2-9,13H,10-12H2,1H3,(H,25,29)(H,30,31)(H,26,27,28) |
| Molecular weight | 479.12 Da |
| AlogP | 0.0 |
| HBond acceptors | 9 |
| HBond donors | 3 |
| Atoms | 55 |