| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2268806
Max Phase: Preclinical
Molecular Formula: C19H29Cl2NO
Molecular Weight: 358.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCC(=O)NCc1ccc(Cl)c(Cl)c1
Standard InChI: InChI=1S/C19H29Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-19(23)22-15-16-12-13-17(20)18(21)14-16/h12-14H,2-11,15H2,1H3,(H,22,23)
Standard InChI Key: ZOZRRGJVMWHTIA-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: 358.35 | Molecular Weight (Monoisotopic): 357.1626 | AlogP: 6.53 | #Rotatable Bonds: 12 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.83 | CX LogD: 6.83 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.42 | Np Likeness Score: -0.82 |
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):