Compound Detail
CHEMBL1976041
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Basic Information
| ChEMBL ID | CHEMBL1976041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWXHIZDIJHFSIP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.3
MW (Da)
3.97
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Decaprenylphosphoryl-beta-D-ribose oxidase CHEMBL3804751 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Decaprenylphosphoryl-beta-D-ribose oxidase | IC50 | = | 41.0 | nM | 7.39 | Inhibition of Mycobacterium tuberculosis H37Rv DprE1 | 29851474 |
| Mycobacterium tuberculosis | IC50 | = | 2500.0 | nM | 5.6 | Antitubercular activity against Mycobacterium tuberculosis H37Rv infected in hum... | 36804747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29851474 | 10.1021/acs.jmedchem.8b00281 | Mycobacterium tuberculosis | 3 |
| 36804747 | 10.1016/j.bmc.2023.117212 | Mycobacterium tuberculosis | 2 |
| 29851474 | 10.1021/acs.jmedchem.8b00281 | Decaprenylphosphoryl-beta-D-ribose oxidase | 1 |
| 29549838 | 10.1016/j.ejmech.2018.03.020 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine