Compound Detail
CHEMBL3262062
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 | CHEMBL3262062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INMDWVVNTDJSNE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
3.05
ALogP
5
HBA
1
HBD
93.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 2 CHEMBL5724 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Arylamine N-acetyltransferase 1 CHEMBL5101 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arylamine N-acetyltransferase 2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escheri... | 24758871 |
| Arylamine N-acetyltransferase 1 | IC50 | = | 10000.0 | nM | 5.0 | 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 | 1 |
| 24758871 | 10.1016/j.bmc.2014.03.015 | Arylamine N-acetyltransferase 2 | 1 |
Data from ChEMBL 36 via Core Engine