| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4462740
Max Phase: Preclinical
Molecular Formula: C24H24N6
Molecular Weight: 396.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1cnc(-c2ccc(CNCCNCc3ccc(-c4ncccn4)cc3)cc2)nc1
Standard InChI: InChI=1S/C24H24N6/c1-11-27-23(28-12-1)21-7-3-19(4-8-21)17-25-15-16-26-18-20-5-9-22(10-6-20)24-29-13-2-14-30-24/h1-14,25-26H,15-18H2
Standard InChI Key: KQSIIKXPYURFEK-UHFFFAOYSA-N
Associated Targets(Human)
U-937 7138 Activities
Associated Targets(non-human)
Mus musculus 284745 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 396.50 | Molecular Weight (Monoisotopic): 396.2062 | AlogP: 3.48 | #Rotatable Bonds: 9 |
| Polar Surface Area: 75.62 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.75 | CX LogP: 3.67 | CX LogD: 2.30 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.42 | Np Likeness Score: -0.77 |
References
| 1. (2018) Compositions and methods for treating respiratory injury or disease, |
Source
Source(1):