Compound Detail
CHEMBL511164
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Basic Information
| ChEMBL ID | CHEMBL511164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQJVMGHZLZXVOS-UVTDQMKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.43
ALogP
4
HBA
1
HBD
46.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 2 CHEMBL5724 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using ... | 19059786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase 2 | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine