| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270316
Max Phase: Preclinical
Molecular Formula: C26H28N2O4
Molecular Weight: 432.52
Associated Items:
Representations
Canonical SMILES: COC(=O)C(NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Standard InChI: InChI=1S/C26H28N2O4/c1-31-25(29)24(27-18-21-13-7-3-8-14-21)23(17-20-11-5-2-6-12-20)28-26(30)32-19-22-15-9-4-10-16-22/h2-16,23-24,27H,17-19H2,1H3,(H,28,30)/t23-,24?/m0/s1
Standard InChI Key: RIOYUYMVWPRVGZ-UXMRNZNESA-N
Associated Targets(Human)
Transient receptor potential cation channel subfamily M member 8 1168 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 432.52 | Molecular Weight (Monoisotopic): 432.2049 | AlogP: 3.86 | #Rotatable Bonds: 10 |
| Polar Surface Area: 76.66 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.17 | CX LogP: 4.81 | CX LogD: 4.80 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.48 | Np Likeness Score: -0.27 |
References
| 1. Pérez de Vega MJ, Gómez-Monterrey I, Ferrer-Montiel A, González-Muñiz R.. (2016) Transient Receptor Potential Melastatin 8 Channel (TRPM8) Modulation: Cool Entryway for Treating Pain and Cancer., 59 (22): [PMID:27437828] [10.1021/acs.jmedchem.6b00305] |
Source
Source(1):