Compound Detail
CHEMBL4280931
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Basic Information
| ChEMBL ID | CHEMBL4280931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMHFHMUETQGPBD-RGVLZGJSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.89
ALogP
4
HBA
2
HBD
54.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
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 |
|---|---|---|---|---|---|
| Low molecular weight protein-tyrosine phosphatase A CHEMBL4542 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Low molecular weight protein-tyrosine phosphatase A | IC50 | = | 17800.0 | nM | 4.75 | Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl ph... | 30389409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30389409 | 10.1016/j.bmc.2018.10.030 | Low molecular weight protein-tyrosine phosphatase A | 2 |
Data from ChEMBL 36 via Core Engine