| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5284816
Max Phase: Preclinical
Molecular Formula: C14H19BrN2O3
Molecular Weight: 343.22
Associated Items:
Representations
Canonical SMILES: CC(C)C(C(=O)O)C(C)NC(=O)Nc1ccc(Br)cc1
Standard InChI: InChI=1S/C14H19BrN2O3/c1-8(2)12(13(18)19)9(3)16-14(20)17-11-6-4-10(15)5-7-11/h4-9,12H,1-3H3,(H,18,19)(H2,16,17,20)
Standard InChI Key: GYDLWCFVSYYOGO-UHFFFAOYSA-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: 343.22 | Molecular Weight (Monoisotopic): 342.0579 | AlogP: 3.32 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.43 | Molecular Species: ACID | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.28 | CX Basic pKa: | CX LogP: 3.28 | CX LogD: 0.30 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.77 | Np Likeness Score: -0.74 |
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] |
| 3. 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] |
| 4. 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):