| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5290016
Max Phase: Preclinical
Molecular Formula: C23H24ClN5O2
Molecular Weight: 437.93
Associated Items:
Representations
Canonical SMILES: COc1ccc([C@H]2CCN(c3ccnnc3)C[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
Standard InChI: InChI=1S/C23H24ClN5O2/c1-31-20-8-2-16(3-9-20)21-11-13-29(19-10-12-25-26-14-19)15-22(21)28-23(30)27-18-6-4-17(24)5-7-18/h2-10,12,14,21-22H,11,13,15H2,1H3,(H2,27,28,30)/t21-,22+/m1/s1
Standard InChI Key: SMWAXAPTBWGUEQ-YADHBBJMSA-N
Associated Targets(Human)
Formyl peptide receptor 1 1372 Activities
Lipoxin A4 receptor 3472 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 437.93 | Molecular Weight (Monoisotopic): 437.1619 | AlogP: 4.32 | #Rotatable Bonds: 5 |
| Polar Surface Area: 79.38 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.51 | CX Basic pKa: 6.19 | CX LogP: 3.22 | CX LogD: 3.20 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.62 | Np Likeness Score: -1.22 |
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):