Compound Detail
CHEMBL3963651
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 | CHEMBL3963651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYUVUTFKMHIMBV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
1.05
ALogP
5
HBA
2
HBD
112.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acetyltransferase Eis CHEMBL3879870 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of Mycobacterium tuberculosis H37Rv acetyltransferase Eis assessed as... | 27933949 |
| N-acetyltransferase Eis | IC50 | = | 5800.0 | nM | 5.24 | Eis inhibition assay: To investigate the potential of these compounds as Eis inh... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933949 | 10.1021/acs.jmedchem.6b01161 | Unchecked | 6 |
| 27933949 | 10.1021/acs.jmedchem.6b01161 | Mycobacterium tuberculosis | 2 |
Data from ChEMBL 36 via Core Engine