| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5284903
Max Phase: Preclinical
Molecular Formula: C16H22BrN3O4
Molecular Weight: 400.27
Associated Items:
Representations
Canonical SMILES: CC(C)C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C(=O)O
Standard InChI: InChI=1S/C16H22BrN3O4/c1-10(2)9-13(15(22)23)20-14(21)7-8-18-16(24)19-12-5-3-11(17)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,20,21)(H,22,23)(H2,18,19,24)/t13-/m0/s1
Standard InChI Key: SBNFPAABYCYHAL-ZDUSSCGKSA-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: 400.27 | Molecular Weight (Monoisotopic): 399.0794 | AlogP: 2.58 | #Rotatable Bonds: 8 |
| 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: 3.87 | CX Basic pKa: | CX LogP: 2.30 | CX LogD: -0.93 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.54 | Np Likeness Score: -1.14 |
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):