Compound Detail
CHEMBL3961587
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Basic Information
| ChEMBL ID | CHEMBL3961587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBJFRUKYWAOXCA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
1.18
ALogP
4
HBA
2
HBD
103.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acetyltransferase Eis CHEMBL3879870 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Mycobacterium tuberculosis H37Rv acetyltransferase Eis assessed as... | 27933949 |
| N-acetyltransferase Eis | IC50 | = | 3000.0 | nM | 5.52 | 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 | 3 |
| 27933949 | 10.1021/acs.jmedchem.6b01161 | Mycobacterium tuberculosis | 2 |
Data from ChEMBL 36 via Core Engine