| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2273121
Max Phase: Preclinical
Molecular Formula: C22H37NO3
Molecular Weight: 363.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCC(=O)N(C)Cc1ccc(OC)c(OC)c1
Standard InChI: InChI=1S/C22H37NO3/c1-5-6-7-8-9-10-11-12-13-14-22(24)23(2)18-19-15-16-20(25-3)21(17-19)26-4/h15-17H,5-14,18H2,1-4H3
Standard InChI Key: OMSQGPXFLDSFES-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: 363.54 | Molecular Weight (Monoisotopic): 363.2773 | AlogP: 5.58 | #Rotatable Bonds: 14 |
| Polar Surface Area: 38.77 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.53 | CX LogD: 5.53 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.40 | Np Likeness Score: -0.62 |
References
| 1. Satoh T, Miyoshi H, Sakamoto K, Iwamura H.. (1996) Comparison of the inhibitory action of synthetic capsaicin analogues with various NADH-ubiquinone oxidoreductases., 1273 (1): [PMID:8573592] [10.1016/0005-2728(95)00131-x] |
Source
Source(1):