| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271637
Max Phase: Preclinical
Molecular Formula: C20H19F3N4O3
Molecular Weight: 420.39
Associated Items:
Representations
Canonical SMILES: COc1cc(F)c([C@@H]2CN3CCON=C3[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1
Standard InChI: InChI=1S/C20H19F3N4O3/c1-29-13-8-15(22)17(16(23)9-13)14-10-27-6-7-30-26-19(27)18(14)25-20(28)24-12-4-2-11(21)3-5-12/h2-5,8-9,14,18H,6-7,10H2,1H3,(H2,24,25,28)/t14-,18-/m0/s1
Standard InChI Key: NZOSRLDMRAAASX-KSSFIOAISA-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: 420.39 | Molecular Weight (Monoisotopic): 420.1409 | AlogP: 3.05 | #Rotatable Bonds: 4 |
| Polar Surface Area: 75.19 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.81 | CX Basic pKa: 4.27 | CX LogP: 2.57 | CX LogD: 2.57 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.80 | Np Likeness Score: -1.00 |
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):