| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3647583
Max Phase: Preclinical
Molecular Formula: C21H37N3O
Molecular Weight: 347.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCc1nc(N2C(C)CCC2C)nc(C)c1O
Standard InChI: InChI=1S/C21H37N3O/c1-5-6-7-8-9-10-11-12-13-19-20(25)18(4)22-21(23-19)24-16(2)14-15-17(24)3/h16-17,25H,5-15H2,1-4H3
Standard InChI Key: TYRRVLIAEQXQEB-UHFFFAOYSA-N
Associated Targets(non-human)
NADH-ubiquinone oxidoreductase chain 1 124 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 347.55 | Molecular Weight (Monoisotopic): 347.2937 | AlogP: 5.55 | #Rotatable Bonds: 10 |
| Polar Surface Area: 49.25 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.32 | CX Basic pKa: 4.89 | CX LogP: 6.29 | CX LogD: 6.29 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.56 | Np Likeness Score: -0.10 |
References
| 1. (2015) Multifunctional radical quenchers and their uses, |
Source
Source(1):