| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3914539
Max Phase: Preclinical
Molecular Formula: C18H27FN2O
Molecular Weight: 306.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(CCO)CNCc1nc(C2CC3CCC2C3)ccc1F
Standard InChI: InChI=1S/C18H27FN2O/c1-12(6-7-22)10-20-11-18-16(19)4-5-17(21-18)15-9-13-2-3-14(15)8-13/h4-5,12-15,20,22H,2-3,6-11H2,1H3
Standard InChI Key: ANWJOMJECSKYSJ-UHFFFAOYSA-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: 306.43 | Molecular Weight (Monoisotopic): 306.2107 | AlogP: 3.23 | #Rotatable Bonds: 7 |
| 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: 8.03 | CX LogP: 2.70 | CX LogD: 1.98 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.81 | Np Likeness Score: 0.06 |
References
| 1. (2015) TRPV3 modulators, |
Source
Source(1):