Compound Detail
CHEMBL2047717
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2047717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZVVCHFDGJEVTB-YVMONPNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
221.2
MW (Da)
1.72
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 1 CHEMBL5101 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Homo sapiens (human) arylamine N-acetyltransferase 1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30078314 | 10.1021/acs.jmedchem.8b00610 | Glycogen synthase kinase-3 beta | 2 |
| 22301213 | 10.1016/j.ejmech.2012.01.019 | Tyrosinase | 1 |
| - | 10.1007/s00044-012-0057-3 | Arylamine N-acetyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine