| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4572092
Max Phase: Preclinical
Molecular Formula: C26H38N4
Molecular Weight: 406.62
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1cc(N2CCCC2)ccc1CNCCCCNCc1ccc(N2CCCC2)cc1
Standard InChI: InChI=1S/C26H38N4/c1(15-27-21-23-7-11-25(12-8-23)29-17-3-4-18-29)2-16-28-22-24-9-13-26(14-10-24)30-19-5-6-20-30/h7-14,27-28H,1-6,15-22H2
Standard InChI Key: QTWMVYMKMNSOSG-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: 406.62 | Molecular Weight (Monoisotopic): 406.3096 | AlogP: 4.55 | #Rotatable Bonds: 11 |
| 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: 10.04 | CX LogP: 4.50 | CX LogD: -0.08 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.54 | Np Likeness Score: -0.69 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):