| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3973492
Max Phase: Preclinical
Molecular Formula: C16H14N2O2
Molecular Weight: 266.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1ccc(NCc2cc3ccccc3nc2O)cc1
Standard InChI: InChI=1S/C16H14N2O2/c19-14-7-5-13(6-8-14)17-10-12-9-11-3-1-2-4-15(11)18-16(12)20/h1-9,17,19H,10H2,(H,18,20)
Standard InChI Key: KTQNASMGONZFNN-UHFFFAOYSA-N
Associated Targets(non-human)
Dihydrolipoyl dehydrogenase 124 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: 266.30 | Molecular Weight (Monoisotopic): 266.1055 | AlogP: 3.26 | #Rotatable Bonds: 3 |
| Polar Surface Area: 65.38 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.27 | CX Basic pKa: 5.15 | CX LogP: 3.32 | CX LogD: 3.31 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.64 | Np Likeness Score: -0.80 |
References
| 1. (2015) Compounds and methods for treating tuberculosis infection, |
Source
Source(1):