| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5265888
Max Phase: Preclinical
Molecular Formula: C20H19BrF2N4O2
Molecular Weight: 465.30
Associated Items:
Representations
Canonical SMILES: Cc1cccc(C2(NC(=O)N[C@@H]3C(=O)NC[C@H]3c3c(F)cc(Br)cc3F)CC2)n1
Standard InChI: InChI=1S/C20H19BrF2N4O2/c1-10-3-2-4-15(25-10)20(5-6-20)27-19(29)26-17-12(9-24-18(17)28)16-13(22)7-11(21)8-14(16)23/h2-4,7-8,12,17H,5-6,9H2,1H3,(H,24,28)(H2,26,27,29)/t12-,17-/m0/s1
Standard InChI Key: LQIAMXGEROWORI-SJCJKPOMSA-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 |
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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: 465.30 | Molecular Weight (Monoisotopic): 464.0659 | AlogP: 3.00 | #Rotatable Bonds: 4 |
| Polar Surface Area: 83.12 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.71 | CX Basic pKa: 4.66 | CX LogP: 2.16 | CX LogD: 2.16 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.65 | Np Likeness Score: -0.72 |
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):