| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4467174
Max Phase: Preclinical
Molecular Formula: C24H34N4O2
Molecular Weight: 410.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1cc(N2CCOCC2)ccc1CNCCNCc1ccc(N2CCOCC2)cc1
Standard InChI: InChI=1S/C24H34N4O2/c1-5-23(27-11-15-29-16-12-27)6-2-21(1)19-25-9-10-26-20-22-3-7-24(8-4-22)28-13-17-30-18-14-28/h1-8,25-26H,9-20H2
Standard InChI Key: DEALFTGJTFNQKX-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: 410.56 | Molecular Weight (Monoisotopic): 410.2682 | AlogP: 2.24 | #Rotatable Bonds: 9 |
| Polar Surface Area: 49.00 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.05 | CX LogP: 2.67 | CX LogD: 0.99 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.62 | Np Likeness Score: -0.86 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):