| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3911882
Max Phase: Preclinical
Molecular Formula: C17H24N2O2
Molecular Weight: 288.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCC(CCC)NC(=O)c1ccc2nc(CC)oc2c1
Standard InChI: InChI=1S/C17H24N2O2/c1-4-7-13(8-5-2)18-17(20)12-9-10-14-15(11-12)21-16(6-3)19-14/h9-11,13H,4-8H2,1-3H3,(H,18,20)
Standard InChI Key: ZVNXNQALKGNOAD-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: 288.39 | Molecular Weight (Monoisotopic): 288.1838 | AlogP: 4.09 | #Rotatable Bonds: 7 |
| Polar Surface Area: 55.13 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.55 | CX LogP: 3.93 | CX LogD: 3.93 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.83 | Np Likeness Score: -1.07 |
References
| 1. (2016) Use of T1R3 venus flytrap region polypeptide to screen for taste modulators, |
Source
Source(1):