| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277975
Max Phase: Preclinical
Molecular Formula: C25H23ClN4O3
Molecular Weight: 462.94
Associated Items:
Representations
Canonical SMILES: NC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)cc1
Standard InChI: InChI=1S/C25H23ClN4O3/c26-17-9-11-18(12-10-17)28-25(33)29-22-6-3-15-30(24(22)32)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(27)31/h1-2,4-5,7-14,22H,3,6,15H2,(H2,27,31)(H2,28,29,33)/t22-/m1/s1
Standard InChI Key: NRIFPZZZLSRMGA-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: 462.94 | Molecular Weight (Monoisotopic): 462.1459 | AlogP: 4.42 | #Rotatable Bonds: 5 |
| Polar Surface Area: 104.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.44 | CX Basic pKa: | CX LogP: 3.60 | CX LogD: 3.60 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.52 | Np Likeness Score: -1.40 |
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):