| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1908066
Max Phase: Preclinical
Molecular Formula: C15H13N3
Molecular Weight: 235.29
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Methylbiphenyl-1,2,4-Triazole
Synonyms from Alternative Forms(1):
Canonical SMILES: Cc1ccc(-c2ccccc2C2=NCN=N2)cc1
Standard InChI: InChI=1S/C15H13N3/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15-16-10-17-18-15/h2-9H,10H2,1H3
Standard InChI Key: OKOIZTLRSHMQRN-UHFFFAOYSA-N
Associated Targets(Human)
UDP-glucuronosyltransferase 1-6 221 Activities
UDP-glucuronosyltransferase 2B4 139 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 235.29 | Molecular Weight (Monoisotopic): 235.1109 | AlogP: 3.83 | #Rotatable Bonds: 2 |
| Polar Surface Area: 37.08 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.76 | CX LogD: 3.76 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.76 | Np Likeness Score: -0.41 |
References
| 1. Tukey RH, Strassburg CP.. (2000) Human UDP-glucuronosyltransferases: metabolism, expression, and disease., 40 (1): [PMID:10836148] [10.1146/annurev.pharmtox.40.1.581] |
Source
Source(1):