| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280901
Max Phase: Preclinical
Molecular Formula: C19H19N5O3
Molecular Weight: 365.39
Associated Items:
Representations
Canonical SMILES: NC1=NNC(c2ccccc2O)N1C(Cc1cc2ccccc2[nH]1)C(=O)O
Standard InChI: InChI=1S/C19H19N5O3/c20-19-23-22-17(13-6-2-4-8-16(13)25)24(19)15(18(26)27)10-12-9-11-5-1-3-7-14(11)21-12/h1-9,15,17,21-22,25H,10H2,(H2,20,23)(H,26,27)
Standard InChI Key: AMPZGLJVHTVWCZ-UHFFFAOYSA-N
Associated Targets(non-human)
Leishmania major 2877 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 365.39 | Molecular Weight (Monoisotopic): 365.1488 | AlogP: 1.70 | #Rotatable Bonds: 5 |
| Polar Surface Area: 126.97 | Molecular Species: ZWITTERION | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.37 | CX Basic pKa: 8.67 | CX LogP: 0.65 | CX LogD: 0.53 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.47 | Np Likeness Score: -0.24 |
References
| 1. Aggarwal R, Sumran G.. (2020) An insight on medicinal attributes of 1,2,4-triazoles., 205 [PMID:32771798] [10.1016/j.ejmech.2020.112652] |
Source
Source(1):