| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3938399
Max Phase: Preclinical
Molecular Formula: C17H23NO2
Molecular Weight: 273.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCC(CCC)NC(=O)c1cc2cc(C)ccc2o1
Standard InChI: InChI=1S/C17H23NO2/c1-4-6-14(7-5-2)18-17(19)16-11-13-10-12(3)8-9-15(13)20-16/h8-11,14H,4-7H2,1-3H3,(H,18,19)
Standard InChI Key: PFTAOAKGUNZLEE-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: 273.38 | Molecular Weight (Monoisotopic): 273.1729 | AlogP: 4.44 | #Rotatable Bonds: 6 |
| Polar Surface Area: 42.24 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.35 | CX LogD: 4.35 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.85 | Np Likeness Score: -0.62 |
References
| 1. (2016) Use of T1R3 venus flytrap region polypeptide to screen for taste modulators, |
Source
Source(1):