| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4560121
Max Phase: Preclinical
Molecular Formula: C28H42N4
Molecular Weight: 434.67
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(CNCCCCNCc2ccc(N3CCCC3)c(C)c2)ccc1N1CCCC1
Standard InChI: InChI=1S/C28H42N4/c1-23-19-25(9-11-27(23)31-15-5-6-16-31)21-29-13-3-4-14-30-22-26-10-12-28(24(2)20-26)32-17-7-8-18-32/h9-12,19-20,29-30H,3-8,13-18,21-22H2,1-2H3
Standard InChI Key: AVXMSIZIDBKRBW-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: 434.67 | Molecular Weight (Monoisotopic): 434.3409 | AlogP: 5.16 | #Rotatable Bonds: 11 |
| Polar Surface Area: 30.54 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.07 | CX LogP: 5.52 | CX LogD: 0.89 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.48 | Np Likeness Score: -0.73 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):