Compound Detail
CHEMBL3950034
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Basic Information
| ChEMBL ID | CHEMBL3950034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSDHZDRKUJUTGH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
3.04
ALogP
5
HBA
0
HBD
61.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acetyltransferase Eis CHEMBL3879870 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acetyltransferase Eis | IC50 | = | 160.0 | nM | 6.8 | Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli... | 27994767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27994767 | 10.1021/acsmedchemlett.6b00261 | Unchecked | 3 |
| 27994767 | 10.1021/acsmedchemlett.6b00261 | N-acetyltransferase Eis | 1 |
| 27994767 | 10.1021/acsmedchemlett.6b00261 | Aminoglycoside 2'-N-acetyltransferase | 1 |
| 27994767 | 10.1021/acsmedchemlett.6b00261 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine