Compound Detail
CHEMBL3764310
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Basic Information
| ChEMBL ID | CHEMBL3764310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOSJTPMWDACDSL-FBCYGCLPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.2
MW (Da)
5.39
ALogP
7
HBA
2
HBD
100.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.64 | 5.64 | 2270.0 | 1 |
| Leucine--tRNA ligase, cytoplasmic CHEMBL3258 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2270.0 | nM | 5.64 | Inhibition of Mycobacterium tuberculosis leucyl-tRNA synthetase assessed as redu... | 26822568 |
| Leucine--tRNA ligase, cytoplasmic | IC50 | = | 18700.0 | nM | 4.73 | Inhibition of human leucyl-tRNA synthetase assessed as reduction of [14C]-L-leuc... | 26822568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26822568 | 10.1016/j.bmc.2016.01.028 | Mycobacterium tuberculosis | 3 |
| 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