| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5276878
Max Phase: Preclinical
Molecular Formula: C14H18BrN3O4
Molecular Weight: 372.22
Associated Items:
Representations
Canonical SMILES: CCC[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(=O)O
Standard InChI: InChI=1S/C14H18BrN3O4/c1-2-3-11(13(20)21)18-12(19)8-16-14(22)17-10-6-4-9(15)5-7-10/h4-7,11H,2-3,8H2,1H3,(H,18,19)(H,20,21)(H2,16,17,22)/t11-/m0/s1
Standard InChI Key: PPXPMPKLRLKKOS-NSHDSACASA-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 |
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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: 372.22 | Molecular Weight (Monoisotopic): 371.0481 | AlogP: 1.94 | #Rotatable Bonds: 7 |
| Polar Surface Area: 107.53 | Molecular Species: ACID | HBA: 3 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.60 | CX Basic pKa: | CX LogP: 1.78 | CX LogD: -1.56 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.59 | Np Likeness Score: -1.26 |
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):