Compound Detail
CHEMBL457919
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Basic Information
| ChEMBL ID | CHEMBL457919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCQNEHSJTBPNPT-YVMONPNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.88
ALogP
4
HBA
2
HBD
49.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 1 CHEMBL5101 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human recombinant NAT1 assessed as hydrolysis of acetyl coA using ... | 19059786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22077389 | 10.1021/jm201243p | Unchecked | 3 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase 1 | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | ADMET | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Unchecked | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase | 1 |
| 22077389 | 10.1021/jm201243p | Prothrombin | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine