| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280268
Max Phase: Preclinical
Molecular Formula: C23H25NO3
Molecular Weight: 363.46
Associated Items:
Representations
Canonical SMILES: OCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Standard InChI: InChI=1S/C23H25NO3/c25-14-13-24-16-21-11-12-22(26-17-19-7-3-1-4-8-19)23(15-21)27-18-20-9-5-2-6-10-20/h1-12,15,24-25H,13-14,16-18H2
Standard InChI Key: OBQCHJDARJNKJK-UHFFFAOYSA-N
Associated Targets(Human)
MM1.S 1111 Activities
Molecule Features
| 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 |
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: 363.46 | Molecular Weight (Monoisotopic): 363.1834 | AlogP: 3.93 | #Rotatable Bonds: 10 |
| Polar Surface Area: 50.72 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.64 | CX LogP: 3.98 | CX LogD: 2.71 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.54 | Np Likeness Score: -0.35 |
References
| 1. Tao M, Liu T, You Q, Jiang Z.. (2020) p62 as a therapeutic target for tumor., 193 [PMID:32193054] [10.1016/j.ejmech.2020.112231] |
Source
Source(1):