| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280890
Max Phase: Preclinical
Molecular Formula: C23H19F4N3O2S
Molecular Weight: 477.48
Associated Items:
Representations
Canonical SMILES: CCn1c(N(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2)nc2cc(F)ccc21
Standard InChI: InChI=1S/C23H19F4N3O2S/c1-2-29-21-13-12-18(24)14-20(21)28-22(29)30(33(31,32)19-6-4-3-5-7-19)15-16-8-10-17(11-9-16)23(25,26)27/h3-14H,2,15H2,1H3
Standard InChI Key: HKWPAJSNZCTJSU-UHFFFAOYSA-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: 477.48 | Molecular Weight (Monoisotopic): 477.1134 | AlogP: 5.61 | #Rotatable Bonds: 6 |
| Polar Surface Area: 55.20 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 2.80 | CX LogP: 5.98 | CX LogD: 5.98 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.34 | Np Likeness Score: -1.83 |
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):