| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4474663
Max Phase: Preclinical
Molecular Formula: C26H36F2N4
Molecular Weight: 442.60
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Fc1cc(CNCCCCNCc2ccc(N3CCCC3)c(F)c2)ccc1N1CCCC1
Standard InChI: InChI=1S/C26H36F2N4/c27-23-17-21(7-9-25(23)31-13-3-4-14-31)19-29-11-1-2-12-30-20-22-8-10-26(24(28)18-22)32-15-5-6-16-32/h7-10,17-18,29-30H,1-6,11-16,19-20H2
Standard InChI Key: DVXIGVDMTJYXGH-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: 442.60 | Molecular Weight (Monoisotopic): 442.2908 | AlogP: 4.82 | #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: 9.78 | CX LogP: 4.78 | CX LogD: 0.68 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.49 | Np Likeness Score: -0.90 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):