Compound Detail
CHEMBL375328
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Basic Information
| ChEMBL ID | CHEMBL375328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDCFOUBAMGLLKA-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
3.68
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dTDP-4-dehydrorhamnose reductase CHEMBL1938225 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dTDP-4-dehydrorhamnose reductase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of Mycobacterium tuberculosis RmlD assessed as inhibition of dTDP-bet... | 22014548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17323938 | 10.1021/jm061213n | RmtA | 1 |
| 17323938 | 10.1021/jm061213n | Protein arginine N-methyltransferase 1 | 1 |
| 22014548 | 10.1016/j.bmcl.2011.09.094 | dTDP-4-dehydrorhamnose reductase | 1 |
| 22014548 | 10.1016/j.bmcl.2011.09.094 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine