| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5274258
Max Phase: Preclinical
Molecular Formula: C21H19F2N5O3
Molecular Weight: 427.41
Associated Items:
Representations
Canonical SMILES: Cc1cccc(-c2oc(C)nc2C(=O)Cc2cnn(Cc3nc(C(C)(F)F)co3)n2)c1
Standard InChI: InChI=1S/C21H19F2N5O3/c1-12-5-4-6-14(7-12)20-19(25-13(2)31-20)16(29)8-15-9-24-28(27-15)10-18-26-17(11-30-18)21(3,22)23/h4-7,9,11H,8,10H2,1-3H3
Standard InChI Key: XLPRMORZRATONW-UHFFFAOYSA-N
Associated Targets(Human)
FPR2 Tchem 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: 427.41 | Molecular Weight (Monoisotopic): 427.1456 | AlogP: 4.12 | #Rotatable Bonds: 7 |
| Polar Surface Area: 99.84 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.89 | CX Basic pKa: | CX LogP: 2.80 | CX LogD: 2.78 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.41 | Np Likeness Score: -1.02 |
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):