| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2382038
Max Phase: Preclinical
Molecular Formula: C16H16N2O4
Molecular Weight: 300.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(O)c(/C=N/NC(=O)c2ccccc2OC)c1
Standard InChI: InChI=1S/C16H16N2O4/c1-21-12-7-8-14(19)11(9-12)10-17-18-16(20)13-5-3-4-6-15(13)22-2/h3-10,19H,1-2H3,(H,18,20)/b17-10+
Standard InChI Key: QEKYUBIQZNDHKD-LICLKQGHSA-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: 300.31 | Molecular Weight (Monoisotopic): 300.1110 | AlogP: 2.17 | #Rotatable Bonds: 5 |
| Polar Surface Area: 80.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.12 | CX Basic pKa: 0.79 | CX LogP: 2.34 | CX LogD: 2.34 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.65 | Np Likeness Score: -1.22 |
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):