| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3928487
Max Phase: Preclinical
Molecular Formula: C16H22ClNO
Molecular Weight: 279.81
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1ccc(C(=O)NC2CCCCC2C)cc1Cl
Standard InChI: InChI=1S/C16H22ClNO/c1-3-12-8-9-13(10-14(12)17)16(19)18-15-7-5-4-6-11(15)2/h8-11,15H,3-7H2,1-2H3,(H,18,19)
Standard InChI Key: VOEUFBPQGTXBCC-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: 279.81 | Molecular Weight (Monoisotopic): 279.1390 | AlogP: 4.21 | #Rotatable Bonds: 3 |
| 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: | CX Basic pKa: | CX LogP: 4.77 | CX LogD: 4.77 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.88 | Np Likeness Score: -1.16 |
References
| 1. (2016) Use of T1R3 venus flytrap region polypeptide to screen for taste modulators, |
Source
Source(1):