ID: ALA4857930
Chembl Id: CHEMBL4857930
PubChem CID: 164610905
Max Phase: Preclinical
Molecular Formula: C19H24N2O5
Molecular Weight: 360.41
Molecule Type: Unknown
Associated Items:
Canonical SMILES: COc1ccc(N(C)C(=O)N(C)c2cc(OC)c(OC)c(OC)c2)cc1
Standard InChI: InChI=1S/C19H24N2O5/c1-20(13-7-9-15(23-3)10-8-13)19(22)21(2)14-11-16(24-4)18(26-6)17(12-14)25-5/h7-12H,1-6H3
Standard InChI Key: ZQZQVUOJBZNODJ-UHFFFAOYSA-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: Unknown | 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: 360.41 | Molecular Weight (Monoisotopic): 360.1685 | AlogP: 3.41 | #Rotatable Bonds: 6 |
| Polar Surface Area: 60.47 | Molecular Species: NEUTRAL | HBA: 5 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 7 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 2.22 | CX LogD: 2.22 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.79 | Np Likeness Score: -0.47 |
| 1. Lawson C, Ahmed Alta TB, Moschou G, Skamnaki V, Solovou TGA, Topham C, Hayes J, Snape TJ.. (2021) Novel diarylamides and diarylureas with N-substitution dependent activity against medulloblastoma., 225 [PMID:34391032] [10.1016/j.ejmech.2021.113751] |
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