| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4853816
Max Phase: Preclinical
Molecular Formula: C18H22N2O4
Molecular Weight: 330.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(N(C)C(=O)N(C)c2ccccc2)cc(OC)c1OC
Standard InChI: InChI=1S/C18H22N2O4/c1-19(13-9-7-6-8-10-13)18(21)20(2)14-11-15(22-3)17(24-5)16(12-14)23-4/h6-12H,1-5H3
Standard InChI Key: LOIQLRHARFTULT-UHFFFAOYSA-N
Associated Targets(Human)
Daoy 570 Activities
ONS-76 191 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 330.38 | Molecular Weight (Monoisotopic): 330.1580 | AlogP: 3.41 | #Rotatable Bonds: 5 |
| Polar Surface Area: 51.24 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.37 | CX LogD: 2.37 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.84 | Np Likeness Score: -0.51 |
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):