Compound Detail
CHEMBL1080495
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Basic Information
| ChEMBL ID | CHEMBL1080495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBLFATMXGLLWEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.7
MW (Da)
3.82
ALogP
2
HBA
3
HBD
86.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Low molecular weight protein-tyrosine phosphatase A CHEMBL4542 | Ki | 4.78 | 4.78 | 16800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Low molecular weight protein-tyrosine phosphatase A | Ki | = | 16800.0 | nM | 4.78 | Inhibition of Mycobacterium tuberculosis PtpA | 19889539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19889539 | 10.1016/j.bmcl.2009.10.090 | Low molecular weight protein-tyrosine phosphatase A | 1 |
Data from ChEMBL 36 via Core Engine