| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4457783
Max Phase: Preclinical
Molecular Formula: C24H24N2O2
Molecular Weight: 372.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1coc(-c2ccc(CNCCNCc3ccc(-c4ccco4)cc3)cc2)c1
Standard InChI: InChI=1S/C24H24N2O2/c1-3-23(27-15-1)21-9-5-19(6-10-21)17-25-13-14-26-18-20-7-11-22(12-8-20)24-4-2-16-28-24/h1-12,15-16,25-26H,13-14,17-18H2
Standard InChI Key: QECYFCAUSFMPOS-UHFFFAOYSA-N
Associated Targets(Human)
U-937 7138 Activities
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: 372.47 | Molecular Weight (Monoisotopic): 372.1838 | AlogP: 5.09 | #Rotatable Bonds: 9 |
| Polar Surface Area: 50.34 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.79 | CX LogP: 4.31 | CX LogD: 2.89 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.40 | Np Likeness Score: -0.59 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):