| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA208514
Max Phase: Preclinical
Molecular Formula: C16H14O
Molecular Weight: 222.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H](O)c1cc2ccccc2c2ccccc12
Standard InChI: InChI=1S/C16H14O/c1-11(17)16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-11,17H,1H3/t11-/m0/s1
Standard InChI Key: NEARLFKSRGYLGW-NSHDSACASA-N
Associated Targets(Human)
UDP-glucuronosyltransferase 2B17 197 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: 222.29 | Molecular Weight (Monoisotopic): 222.1045 | AlogP: 4.05 | #Rotatable Bonds: 1 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.60 | CX LogD: 3.60 |
| Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.62 | Np Likeness Score: 0.11 |
References
| 1. Bichlmaier I, Siiskonen A, Finel M, Yli-Kauhaluoma J.. (2006) Stereochemical sensitivity of the human UDP-glucuronosyltransferases 2B7 and 2B17., 49 (5): [PMID:16509597] [10.1021/jm051142c] |
Source
Source(1):