| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2382033
Max Phase: Preclinical
Molecular Formula: C15H14N2O5
Molecular Weight: 302.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1C(=O)N/N=C/c1cc(O)c(O)c(O)c1
Standard InChI: InChI=1S/C15H14N2O5/c1-22-13-5-3-2-4-10(13)15(21)17-16-8-9-6-11(18)14(20)12(19)7-9/h2-8,18-20H,1H3,(H,17,21)/b16-8+
Standard InChI Key: JEPQCEHEMGJQRR-LZYBPNLTSA-N
Associated Targets(non-human)
Leishmania major 2877 Activities
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: 302.29 | Molecular Weight (Monoisotopic): 302.0903 | AlogP: 1.58 | #Rotatable Bonds: 4 |
| Polar Surface Area: 111.38 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.56 | CX Basic pKa: 1.03 | CX LogP: 1.89 | CX LogD: 1.87 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.39 | Np Likeness Score: -0.84 |
References
| 1. Taha M, Baharudin MS, Ismail NH, Khan KM, Jaafar FM, Samreen, Siddiqui S, Choudhary MI.. (2013) Synthesis of 2-methoxybenzoylhydrazone and evaluation of their antileishmanial activity., 23 (11): [PMID:23608761] [10.1016/j.bmcl.2013.03.051] |
Source
Source(1):