Compound Detail
CHEMBL2436531
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 | CHEMBL2436531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZZHFEFHMHCYCG-LZYBPNLTSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.79
ALogP
8
HBA
2
HBD
93.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11400.0 | nM | 4.94 | Inhibition of Mycobacterium tuberculosis leucyl-tRNA synthetase assessed as redu... | 26822568 |
| Mycobacterium tuberculosis | IC50 | = | 59000.0 | nM | 4.23 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv assessed as grow... | 26822568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26822568 | 10.1016/j.bmc.2016.01.028 | Mycobacterium tuberculosis | 3 |
| 24095750 | 10.1016/j.ejmech.2013.08.054 | Mycobacterium tuberculosis | 1 |
| 26822568 | 10.1016/j.bmc.2016.01.028 | Leucine--tRNA ligase, cytoplasmic | 1 |
| 26822568 | 10.1016/j.bmc.2016.01.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine