| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4591851
Max Phase: Preclinical
Molecular Formula: C25H36N4
Molecular Weight: 392.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1cc(N2CCCC2)ccc1CNCCCNCc1ccc(N2CCCC2)cc1
Standard InChI: InChI=1S/C25H36N4/c1-2-17-28(16-1)24-10-6-22(7-11-24)20-26-14-5-15-27-21-23-8-12-25(13-9-23)29-18-3-4-19-29/h6-13,26-27H,1-5,14-21H2
Standard InChI Key: ABJYXBJFHDPTFQ-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: 392.59 | Molecular Weight (Monoisotopic): 392.2940 | AlogP: 4.16 | #Rotatable Bonds: 10 |
| 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: 9.68 | CX LogP: 3.98 | CX LogD: 1.39 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.59 | Np Likeness Score: -0.73 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):