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6-bromo-N'-(2-hydroxy-3-methoxybenzylidene)-2-methylquinoline-4-carbohydrazide
ID: ALA3103223
Chembl Id: CHEMBL3103223
PubChem CID: 135445501
Max Phase: Preclinical
Molecular Formula: C19H16BrN3O3
Molecular Weight: 414.26
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: COc1cccc(/C=N/NC(=O)c2cc(C)nc3ccc(Br)cc23)c1O
Standard InChI: InChI=1S/C19H16BrN3O3/c1-11-8-15(14-9-13(20)6-7-16(14)22-11)19(25)23-21-10-12-4-3-5-17(26-2)18(12)24/h3-10,24H,1-2H3,(H,23,25)/b21-10+
Standard InChI Key: CUAGILPZBBQACL-UFFVCSGVSA-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 |
|---|
Calculated Properties
| Molecular Weight: 414.26 | Molecular Weight (Monoisotopic): 413.0375 | AlogP: 3.78 | #Rotatable Bonds: 4 |
| Polar Surface Area: 83.81 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.26 | CX Basic pKa: 2.24 | CX LogP: 3.56 | CX LogD: 3.55 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.50 | Np Likeness Score: -1.49 |
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] |
