| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4870266
Max Phase: Preclinical
Molecular Formula: C24H22N2O4
Molecular Weight: 402.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(NC(=O)Nc2cccc3cc4ccccc4cc23)cc(OC)c1OC
Standard InChI: InChI=1S/C24H22N2O4/c1-28-21-13-18(14-22(29-2)23(21)30-3)25-24(27)26-20-10-6-9-17-11-15-7-4-5-8-16(15)12-19(17)20/h4-14H,1-3H3,(H2,25,26,27)
Standard InChI Key: GKHNTKDRRAAKIC-UHFFFAOYSA-N
Associated Targets(Human)
Daoy 570 Activities
ONS-76 191 Activities
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Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 402.45 | Molecular Weight (Monoisotopic): 402.1580 | AlogP: 5.66 | #Rotatable Bonds: 5 |
| Polar Surface Area: 68.82 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.19 | CX Basic pKa: | CX LogP: 4.62 | CX LogD: 4.62 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.42 | Np Likeness Score: -0.76 |
References
| 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] |
Source
Source(1):