| Identification | Back Directory | [Name]
1H-Isoindole-1,3(2H)-dione, 2-[2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethyl]- | [CAS]
1280738-47-7 | [Synonyms]
1H-Isoindole-1,3(2H)-dione, 2-[2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethyl]- | [Molecular Formula]
C18H14N4O2 | [MOL File]
1280738-47-7.mol | [Molecular Weight]
318.33 |
| Hazard Information | Back Directory | [Uses]
PT4 is a therapeutic agent against Cutaneous leishmaniasis (CL). PT4 is effective against both species of Leishmania, with IC50s of 125.18 and 233.18 μM for L. amazonensis and L. braziliensis, respectively. PT4 decreases of mitochondrial membrane potential and increases production of reactive oxygen species, which leads to parasite death. PT4 has a potent in vivo anti-inflammatory activity[1]. | [in vivo]
The pharmacokinetic and toxicological parameters of PT4 | Parameter | | | HBA (≤10) | 4 | | HBD (≤5) | 0 | | LogP (≤5) | 2.23 | | MW (≤500) g/mol | 318.33 | | n-ROTB (≤10) | 4 | | TPSA (A2) | 68.09 | | BBB | Yes | | GIA | High | | P-GP substrate | No | | Skin permeability (cm/s) | -6.85 | | CYP450 2C9 inhibitor | Yes | | CYP450 2D6 inhibitor | No | | CYP450 2C19 inhibitor | Yes | | CYP450 3A4 inhibitor | No | | CYP450 1A2 inhibitor | Yes | | Total Clearance (log ml/min/kg) | 0.117 | | Renal OCT2 substrate | No | | LD50 (mg/Kg) | 4700 | |
| [References]
[1] Vanderlan Nogueira Holanda, et al. Antileishmanial activity of 4-phenyl-1-[2-(phthalimido-2-yl)ethyl]-1H-1,2,3-triazole (PT4) derivative on Leishmania amazonensis and Leishmania braziliensis: In silico ADMET, in vitro activity, docking and m |
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