| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2272029
Max Phase: Preclinical
Molecular Formula: C19H23NO2
Molecular Weight: 297.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1
Standard InChI: InChI=1S/C19H23NO2/c1-19(2,3)15-8-12-17(13-9-15)22-16-10-6-14(7-11-16)18(21)20(4)5/h6-13H,1-5H3
Standard InChI Key: VLUVBGTUZSNYDV-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: 297.40 | Molecular Weight (Monoisotopic): 297.1729 | AlogP: 4.48 | #Rotatable Bonds: 3 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.32 | CX LogD: 4.32 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.84 | Np Likeness Score: -1.12 |
References
| 1. Yabunaka H, Kenmochi A, Nakatogawa Y, Sakamoto K, Miyoshi H.. (2002) Hybrid ubiquinone: novel inhibitor of mitochondrial complex I., 1556 (2): [PMID:12460667] [10.1016/s0005-2728(02)00341-9] |
Source
Source(1):