| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3929781
Max Phase: Preclinical
Molecular Formula: C15H21NOS
Molecular Weight: 263.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC12CCC(C1)C(C)(C)C2NC(=O)c1cccs1
Standard InChI: InChI=1S/C15H21NOS/c1-14(2)10-6-7-15(3,9-10)13(14)16-12(17)11-5-4-8-18-11/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,16,17)
Standard InChI Key: CNTWOTIESFUYFU-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: 263.41 | Molecular Weight (Monoisotopic): 263.1344 | AlogP: 3.69 | #Rotatable Bonds: 2 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.62 | CX LogD: 3.62 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.87 | Np Likeness Score: -0.03 |
References
| 1. (2016) Use of T1R3 venus flytrap region polypeptide to screen for taste modulators, |
Source
Source(1):