| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280794
Max Phase: Preclinical
Molecular Formula: C27H29N3O4
Molecular Weight: 459.55
Associated Items:
Representations
Canonical SMILES: COc1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC2(c3ccccc3)CC2)cc1
Standard InChI: InChI=1S/C27H29N3O4/c1-34-23-13-9-21(10-14-23)29-26(33)30-24(17-19-7-11-22(31)12-8-19)25(32)28-18-27(15-16-27)20-5-3-2-4-6-20/h2-14,24,31H,15-18H2,1H3,(H,28,32)(H2,29,30,33)/t24-/m0/s1
Standard InChI Key: HEDMOEAQWTUYFV-DEOSSOPVSA-N
Associated Targets(Human)
Lipoxin A4 receptor 3472 Activities
Formyl peptide receptor 1 1372 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: 459.55 | Molecular Weight (Monoisotopic): 459.2158 | AlogP: 3.98 | #Rotatable Bonds: 9 |
| Polar Surface Area: 99.69 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.50 | CX Basic pKa: | CX LogP: 4.05 | CX LogD: 4.05 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.39 | Np Likeness Score: -0.64 |
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):