| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277650
Max Phase: Preclinical
Molecular Formula: C25H28F3N5O3
Molecular Weight: 503.53
Associated Items:
Representations
Canonical SMILES: CC(=O)N1CCN(c2ccc(N3CCC[C@@H](NC(=O)Nc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1
Standard InChI: InChI=1S/C25H28F3N5O3/c1-17(34)31-13-15-32(16-14-31)20-8-10-21(11-9-20)33-12-2-3-22(23(33)35)30-24(36)29-19-6-4-18(5-7-19)25(26,27)28/h4-11,22H,2-3,12-16H2,1H3,(H2,29,30,36)/t22-/m1/s1
Standard InChI Key: CAUDCMUTODUDII-JOCHJYFZSA-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: 503.53 | Molecular Weight (Monoisotopic): 503.2144 | AlogP: 3.69 | #Rotatable Bonds: 4 |
| Polar Surface Area: 84.99 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.44 | CX Basic pKa: 2.95 | CX LogP: 2.56 | CX LogD: 2.56 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.67 | Np Likeness Score: -1.63 |
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):