| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3936250
Max Phase: Preclinical
Molecular Formula: C16H19F4NO
Molecular Weight: 317.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(F)c(F)c(C(=O)NC2CCCCCCC2)c(F)c1F
Standard InChI: InChI=1S/C16H19F4NO/c1-9-12(17)14(19)11(15(20)13(9)18)16(22)21-10-7-5-3-2-4-6-8-10/h10H,2-8H2,1H3,(H,21,22)
Standard InChI Key: VAAKNJUTDXONDF-UHFFFAOYSA-N
Associated Targets(Human)
T1R1/T1R3 473 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: 317.33 | Molecular Weight (Monoisotopic): 317.1403 | AlogP: 4.39 | #Rotatable Bonds: 2 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.15 | CX Basic pKa: | CX LogP: 4.82 | CX LogD: 4.82 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.64 | Np Likeness Score: -0.79 |
References
| 1. (2016) Use of T1R3 venus flytrap region polypeptide to screen for taste modulators, |
Source
Source(1):