| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4563117
Max Phase: Preclinical
Molecular Formula: C12H23NO
Molecular Weight: 197.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1CCC(CCCC(N)=O)C1(C)C
Standard InChI: InChI=1S/C12H23NO/c1-9-7-8-10(12(9,2)3)5-4-6-11(13)14/h9-10H,4-8H2,1-3H3,(H2,13,14)
Standard InChI Key: AHUDABBLXXYHKI-UHFFFAOYSA-N
Associated Targets(Human)
Taste receptor type 2 member 1 37 Activities
Taste receptor type 2 member 16 102 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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HEK-293T 167025 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 197.32 | Molecular Weight (Monoisotopic): 197.1780 | AlogP: 2.71 | #Rotatable Bonds: 4 |
| Polar Surface Area: 43.09 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.59 | CX LogD: 2.59 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.74 | Np Likeness Score: 1.79 |
References
| 1. (2013) Methods to identify tas2r modulators, |
Source
Source(1):