ID: ALA5172162
Chembl Id: CHEMBL5172162
PubChem CID: 148019943
Max Phase: Preclinical
Molecular Formula: C24H24N2O3
Molecular Weight: 388.47
Associated Items:
Canonical SMILES: Cc1ccc(CC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1
Standard InChI: InChI=1S/C24H24N2O3/c1-16-7-8-17(14-23(28)19-5-4-6-20(15-19)26(2)3)13-22(16)25-24(29)18-9-11-21(27)12-10-18/h4-13,15,27H,14H2,1-3H3,(H,25,29)
Standard InChI Key: JAMRWCWXSRPVHI-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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: 388.47 | Molecular Weight (Monoisotopic): 388.1787 | AlogP: 4.44 | #Rotatable Bonds: 6 |
| Polar Surface Area: 69.64 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 8.61 | CX Basic pKa: 3.85 | CX LogP: 4.78 | CX LogD: 4.75 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.61 | Np Likeness Score: -0.97 |
| 1. Carrillo García C, Becker C, Forster M, Lohmann S, Freitag P, Laufer S, Sievers S, Fleischmann BK, Hesse M, Schade D.. (2022) High-Throughput Screening Platform in Postnatal Heart Cells and Chemical Probe Toolbox to Assess Cardiomyocyte Proliferation., 65 (2.0): [PMID:34818008] [10.1021/acs.jmedchem.1c01173] |
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