Compound Detail
CHEMBL3262085
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Basic Information
| ChEMBL ID | CHEMBL3262085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOXBWUSFXFNAAI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.57
ALogP
6
HBA
3
HBD
118.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 2 CHEMBL5724 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Arylamine N-acetyltransferase 1 CHEMBL5101 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 2 | IC50 | = | 430.0 | nM | 6.37 | Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escheri... | 24758871 |
| Arylamine N-acetyltransferase 1 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production us... | 24758871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24758871 | 10.1016/j.bmc.2014.03.015 | No relevant target | 2 |
| 24758871 | 10.1016/j.bmc.2014.03.015 | Arylamine N-acetyltransferase 1 | 2 |
| 24758871 | 10.1016/j.bmc.2014.03.015 | Arylamine N-acetyltransferase 2 | 1 |
Data from ChEMBL 36 via Core Engine