Compound Detail
CHEMBL549640
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Basic Information
| ChEMBL ID | CHEMBL549640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBCJHAKYAHFFKF-BOPFTXTBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
408.8
MW (Da)
4.40
ALogP
4
HBA
2
HBD
99.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.29 | 5.29 | 5092.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 5092.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of PTP1B by pNPP hydrolase assay | 19269068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19269068 | 10.1016/j.ejmech.2009.02.011 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine