ID: ALA5282051
Chembl Id: CHEMBL5282051
Max Phase: Preclinical
Molecular Formula: C17H19ClN2O3
Molecular Weight: 334.80
Associated Items:
Canonical SMILES: COc1ccc(C[C@H](CO)NC(=O)Nc2ccc(Cl)cc2)cc1
Standard InChI: InChI=1S/C17H19ClN2O3/c1-23-16-8-2-12(3-9-16)10-15(11-21)20-17(22)19-14-6-4-13(18)5-7-14/h2-9,15,21H,10-11H2,1H3,(H2,19,20,22)/t15-/m1/s1
Standard InChI Key: KLPPSMCJVLPCJW-OAHLLOKOSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 334.80 | Molecular Weight (Monoisotopic): 334.1084 | AlogP: 3.07 | #Rotatable Bonds: 6 |
| Polar Surface Area: 70.59 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 13.50 | CX Basic pKa: ┄ | CX LogP: 2.93 | CX LogD: 2.93 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.76 | Np Likeness Score: -1.01 |
| 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] |
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