| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4535452
Max Phase: Preclinical
Molecular Formula: C17H24O4
Molecular Weight: 292.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)O[C@H]1C/C=C(\C)CC[C@H]2[C@H](C)C(=O)O[C@@H]2/C=C/1C
Standard InChI: InChI=1S/C17H24O4/c1-10-5-7-14-12(3)17(19)21-16(14)9-11(2)15(8-6-10)20-13(4)18/h6,9,12,14-16H,5,7-8H2,1-4H3/b10-6+,11-9+/t12-,14-,15-,16+/m0/s1
Standard InChI Key: GYXQQENGZKKHNQ-IWACHJLPSA-N
Associated Targets(Human)
Taste receptor type 2 member 46 155 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 292.38 | Molecular Weight (Monoisotopic): 292.1675 | AlogP: 3.17 | #Rotatable Bonds: 1 |
| Polar Surface Area: 52.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.88 | CX LogD: 2.88 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.55 | Np Likeness Score: 3.14 |
References
| 1. (2014) Methods of identifying antagonists of the hTAS2R46 bitter taste receptor, |
Source
Source(1):