| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267781
Max Phase: Preclinical
Molecular Formula: C23H25F3N4O3
Molecular Weight: 462.47
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(N3CCOCC3)cc2)C1=O
Standard InChI: InChI=1S/C23H25F3N4O3/c24-23(25,26)16-3-5-17(6-4-16)27-22(32)28-20-2-1-11-30(21(20)31)19-9-7-18(8-10-19)29-12-14-33-15-13-29/h3-10,20H,1-2,11-15H2,(H2,27,28,32)/t20-/m1/s1
Standard InChI Key: AWRHOJTZUSRTJE-HXUWFJFHSA-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: 462.47 | Molecular Weight (Monoisotopic): 462.1879 | AlogP: 3.86 | #Rotatable Bonds: 4 |
| Polar Surface Area: 73.91 | 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: 0.96 | CX LogP: 3.26 | CX LogD: 3.26 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.72 | Np Likeness Score: -1.72 |
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):