| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280051
Max Phase: Preclinical
Molecular Formula: C23H19NO2
Molecular Weight: 341.41
Associated Items:
Representations
Canonical SMILES: OC(c1ccccc1)c1cccc(OCc2ccc3ccccc3n2)c1
Standard InChI: InChI=1S/C23H19NO2/c25-23(18-8-2-1-3-9-18)19-10-6-11-21(15-19)26-16-20-14-13-17-7-4-5-12-22(17)24-20/h1-15,23,25H,16H2
Standard InChI Key: FWDHABOCDSLGAB-UHFFFAOYSA-N
Associated Targets(non-human)
Arachidonate 5-lipoxygenase 2865 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 341.41 | Molecular Weight (Monoisotopic): 341.1416 | AlogP: 4.90 | #Rotatable Bonds: 5 |
| Polar Surface Area: 42.35 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.69 | CX Basic pKa: 3.17 | CX LogP: 4.80 | CX LogD: 4.80 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.56 | Np Likeness Score: -0.55 |
References
| 1. Gür ZT, Çalışkan B, Banoglu E.. (2018) Drug discovery approaches targeting 5-lipoxygenase-activating protein (FLAP) for inhibition of cellular leukotriene biosynthesis., 153 [PMID:28784429] [10.1016/j.ejmech.2017.07.019] |
Source
Source(1):