| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1908015
Max Phase: Preclinical
Molecular Formula: C8H8O3
Molecular Weight: 152.15
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 4-Hydroxyacetylphenol
Synonyms from Alternative Forms(1):
Canonical SMILES: O=C(CO)c1ccc(O)cc1
Standard InChI: InChI=1S/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2
Standard InChI Key: KLAKIAVEMQMVBT-UHFFFAOYSA-N
Associated Targets(Human)
UDP-glucuronosyltransferase 1-1 448 Activities
Molecule Features
| Natural Product: Yes | 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: 152.15 | Molecular Weight (Monoisotopic): 152.0473 | AlogP: 0.57 | #Rotatable Bonds: 2 |
| Polar Surface Area: 57.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.69 | CX Basic pKa: | CX LogP: 0.41 | CX LogD: 0.23 |
| Aromatic Rings: 1 | Heavy Atoms: 11 | QED Weighted: 0.61 | Np Likeness Score: 0.74 |
References
| 1. Tukey RH, Strassburg CP.. (2000) Human UDP-glucuronosyltransferases: metabolism, expression, and disease., 40 (1): [PMID:10836148] [10.1146/annurev.pharmtox.40.1.581] |
Source
Source(1):