Compound Detail
CHEMBL205772
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Basic Information
| ChEMBL ID | CHEMBL205772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIRIMDYRPXOLHI-LBPRGKRZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
176.3
MW (Da)
2.67
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-glucuronosyltransferase 2B17 CHEMBL4978 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UDP-glucuronosyltransferase 2B17 | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of UGT2B17 | 16509597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509597 | 10.1021/jm051142c | UDP-glucuronosyltransferase 2B7 | 2 |
| 16509597 | 10.1021/jm051142c | UDP-glucuronosyltransferase 2B17 | 2 |
Data from ChEMBL 36 via Core Engine