| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4452944
Max Phase: Preclinical
Molecular Formula: C24H34N4
Molecular Weight: 378.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1cc(N2CCCC2)ccc1CNCCNCc1ccc(N2CCCC2)cc1
Standard InChI: InChI=1S/C24H34N4/c1-2-16-27(15-1)23-9-5-21(6-10-23)19-25-13-14-26-20-22-7-11-24(12-8-22)28-17-3-4-18-28/h5-12,25-26H,1-4,13-20H2
Standard InChI Key: SKCZSHJKRVAOLQ-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: 378.56 | Molecular Weight (Monoisotopic): 378.2783 | AlogP: 3.77 | #Rotatable Bonds: 9 |
| Polar Surface Area: 30.54 | 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: 9.06 | CX LogP: 3.92 | CX LogD: 2.24 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.65 | Np Likeness Score: -0.74 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):