Compound Detail
CHEMBL3133710
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Basic Information
| ChEMBL ID | CHEMBL3133710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIEACFBCVQBCCD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3139953 |
| Active Moiety | CHEMBL3139953 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
1.79
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17800.0 | nM | 4.75 | Inhibition of His-tagged Mycobacterium tuberculosis DXR expressed in Escherichia... | 23914289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23914289 | 10.1039/c3md00085k | Unchecked | 3 |
| 23914289 | 10.1039/c3md00085k | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine