| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4847604
Max Phase: Preclinical
Molecular Formula: C20H20N2O5
Molecular Weight: 368.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(NC(=O)Nc2cccc3cc(O)ccc23)cc(OC)c1OC
Standard InChI: InChI=1S/C20H20N2O5/c1-25-17-10-13(11-18(26-2)19(17)27-3)21-20(24)22-16-6-4-5-12-9-14(23)7-8-15(12)16/h4-11,23H,1-3H3,(H2,21,22,24)
Standard InChI Key: BZEBYWZYZDUJOY-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: 368.39 | Molecular Weight (Monoisotopic): 368.1372 | AlogP: 4.22 | #Rotatable Bonds: 5 |
| Polar Surface Area: 89.05 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.75 | CX Basic pKa: | CX LogP: 3.33 | CX LogD: 3.33 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.63 | Np Likeness Score: -0.61 |
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):