| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4455900
Max Phase: Preclinical
Molecular Formula: C27H40N4
Molecular Weight: 420.65
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1cc(N2CCCC2)ccc1CNCCCCCNCc1ccc(N2CCCC2)cc1
Standard InChI: InChI=1S/C27H40N4/c1(2-16-28-22-24-8-12-26(13-9-24)30-18-4-5-19-30)3-17-29-23-25-10-14-27(15-11-25)31-20-6-7-21-31/h8-15,28-29H,1-7,16-23H2
Standard InChI Key: POPPZIRTHZLDBX-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: 420.65 | Molecular Weight (Monoisotopic): 420.3253 | AlogP: 4.94 | #Rotatable Bonds: 12 |
| 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: 10.05 | CX LogP: 4.94 | CX LogD: 0.35 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.48 | Np Likeness Score: -0.64 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):