| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4287848
Max Phase: Preclinical
Molecular Formula: C26H19ClN2O2
Molecular Weight: 426.90
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1noc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1-c1ccc(Cl)cc1
Standard InChI: InChI=1S/C26H19ClN2O2/c1-17-25(19-6-11-21(27)12-7-19)26(31-29-17)20-9-14-23(15-10-20)30-16-22-13-8-18-4-2-3-5-24(18)28-22/h2-15H,16H2,1H3
Standard InChI Key: AMIPAOPSTMMQPO-UHFFFAOYSA-N
Associated Targets(Human)
5-lipoxygenase activating protein 3184 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: 426.90 | Molecular Weight (Monoisotopic): 426.1135 | AlogP: 7.10 | #Rotatable Bonds: 5 |
| Polar Surface Area: 48.15 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 3.18 | CX LogP: 6.09 | CX LogD: 6.09 |
| Aromatic Rings: 5 | Heavy Atoms: 31 | QED Weighted: 0.30 | Np Likeness Score: -0.97 |
References
| 1. Hu C, Ma S.. (2018) Recent development of lipoxygenase inhibitors as anti-inflammatory agents., 9 (2): [PMID:30108915] [10.1039/C7MD00390K] |
Source
Source(1):