Compound Detail
CHEMBL502693
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Basic Information
| ChEMBL ID | CHEMBL502693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRNCZWQQVCTSAL-UVTDQMKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.84
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 1 CHEMBL5101 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 1 | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of human recombinant NAT1 assessed as hydrolysis of acetyl coA using ... | 19059786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900478 | 10.1021/ml200284s | Unchecked | 2 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase 1 | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Unchecked | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase | 1 |
| 21129963 | 10.1016/j.bmcl.2010.11.041 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine