| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286200
Max Phase: Preclinical
Molecular Formula: C22H24ClF4N3O2
Molecular Weight: 473.90
Associated Items:
Representations
Canonical SMILES: COc1cc(F)c([C@H]2CCN(CCC(F)F)C[C@@H]2NC(=O)Nc2ccc(Cl)cc2)c(F)c1
Standard InChI: InChI=1S/C22H24ClF4N3O2/c1-32-15-10-17(24)21(18(25)11-15)16-6-8-30(9-7-20(26)27)12-19(16)29-22(31)28-14-4-2-13(23)3-5-14/h2-5,10-11,16,19-20H,6-9,12H2,1H3,(H2,28,29,31)/t16-,19-/m0/s1
Standard InChI Key: VCXNANLLKWGXHE-LPHOPBHVSA-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: 473.90 | Molecular Weight (Monoisotopic): 473.1493 | AlogP: 5.26 | #Rotatable Bonds: 7 |
| Polar Surface Area: 53.60 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.51 | CX Basic pKa: 6.89 | CX LogP: 4.55 | CX LogD: 4.44 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.54 | Np Likeness Score: -1.29 |
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] |
| 2. 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):