The store will not work correctly when cookies are disabled.
ID: ALA3103224
Max Phase: Preclinical
Molecular Formula: C16H16N2O3
Molecular Weight: 284.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc(/C=N/NC(=O)c2ccc(C)cc2)c1O
Standard InChI: InChI=1S/C16H16N2O3/c1-11-6-8-12(9-7-11)16(20)18-17-10-13-4-3-5-14(21-2)15(13)19/h3-10,19H,1-2H3,(H,18,20)/b17-10+
Standard InChI Key: DTIBYUZHZWFXKF-LICLKQGHSA-N
Associated Targets(non-human)
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: 284.32 | Molecular Weight (Monoisotopic): 284.1161 | AlogP: 2.47 | #Rotatable Bonds: 4 |
| Polar Surface Area: 70.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.26 | CX Basic pKa: 1.04 | CX LogP: 3.02 | CX LogD: 3.01 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.67 | Np Likeness Score: -1.33 |
References
| 1. Chen C, Dolla NK, Casadei G, Bremner JB, Lewis K, Kelso MJ.. (2014) Diarylacylhydrazones: Clostridium-selective antibacterials with activity against stationary-phase cells., 24 (2): [PMID:24360560] [10.1016/j.bmcl.2013.12.015] |
