| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270218
Max Phase: Preclinical
Molecular Formula: C24H28F3N5O2
Molecular Weight: 475.52
Associated Items:
Representations
Canonical SMILES: CN1CCN(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1
Standard InChI: InChI=1S/C24H28F3N5O2/c1-30-13-15-31(16-14-30)19-8-10-20(11-9-19)32-12-2-3-21(22(32)33)29-23(34)28-18-6-4-17(5-7-18)24(25,26)27/h4-11,21H,2-3,12-16H2,1H3,(H2,28,29,34)/t21-/m1/s1
Standard InChI Key: BGARTUDBMYNWMC-OAQYLSRUSA-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: 475.52 | Molecular Weight (Monoisotopic): 475.2195 | AlogP: 3.77 | #Rotatable Bonds: 4 |
| Polar Surface Area: 67.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.44 | CX Basic pKa: 7.85 | CX LogP: 3.33 | CX LogD: 2.75 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.71 | Np Likeness Score: -1.61 |
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):