| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3696452
Max Phase: Preclinical
Molecular Formula: C17H19ClF2N2O
Molecular Weight: 340.80
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(Cl)c2)ccc1F
Standard InChI: InChI=1S/C17H19ClF2N2O/c1-10(2)17(9-23)21-8-16-14(20)5-6-15(22-16)11-3-4-13(19)12(18)7-11/h3-7,10,17,21,23H,8-9H2,1-2H3/t17-/m0/s1
Standard InChI Key: OJGCLTFQCOTNGA-KRWDZBQOSA-N
Associated Targets(Human)
Transient receptor potential cation channel subfamily V member 3 542 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: 340.80 | Molecular Weight (Monoisotopic): 340.1154 | AlogP: 3.79 | #Rotatable Bonds: 6 |
| Polar Surface Area: 45.15 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.98 | CX LogP: 3.93 | CX LogD: 3.25 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.84 | Np Likeness Score: -0.99 |
References
| 1. (2015) TRPV3 modulators, |
Source
Source(1):