| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5278412
Max Phase: Preclinical
Molecular Formula: C25H21F4N3O2
Molecular Weight: 471.45
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCCN(c2ccc(-c3ccccc3F)cc2)C1=O
Standard InChI: InChI=1S/C25H21F4N3O2/c26-21-5-2-1-4-20(21)16-7-13-19(14-8-16)32-15-3-6-22(23(32)33)31-24(34)30-18-11-9-17(10-12-18)25(27,28)29/h1-2,4-5,7-14,22H,3,6,15H2,(H2,30,31,34)/t22-/m0/s1
Standard InChI Key: REWSBQAKQNWBKS-QFIPXVFZSA-N
Associated Targets(Human)
Lipoxin A4 receptor 3472 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: 471.45 | Molecular Weight (Monoisotopic): 471.1570 | AlogP: 5.83 | #Rotatable Bonds: 4 |
| Polar Surface Area: 61.44 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.44 | CX Basic pKa: | CX LogP: 5.16 | CX LogD: 5.16 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.47 | Np Likeness Score: -1.55 |
References
| 1. Maciuszek M, Cacace A, Brennan E, Godson C, Chapman TM.. (2021) Recent advances in the design and development of formyl peptide receptor 2 (FPR2/ALX) agonists as pro-resolving agents with diverse therapeutic potential., 213 [PMID:33486199] [10.1016/j.ejmech.2021.113167] |
Source
Source(1):