| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4447132
Max Phase: Preclinical
Molecular Formula: C28H28N2
Molecular Weight: 392.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1ccc(-c2ccc(CNCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1
Standard InChI: InChI=1S/C28H28N2/c1-3-7-25(8-4-1)27-15-11-23(12-16-27)21-29-19-20-30-22-24-13-17-28(18-14-24)26-9-5-2-6-10-26/h1-18,29-30H,19-22H2
Standard InChI Key: ZPRNJMPTZRXFGF-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: 392.55 | Molecular Weight (Monoisotopic): 392.2252 | AlogP: 5.90 | #Rotatable Bonds: 9 |
| Polar Surface Area: 24.06 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.89 | CX LogP: 6.19 | CX LogD: 4.67 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.35 | Np Likeness Score: -0.36 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):