Compound Detail
CHEMBL175576
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Basic Information
| ChEMBL ID | CHEMBL175576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVTPMAWXBQQILM-IALDZJHCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
1.07
ALogP
5
HBA
2
HBD
101.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Protein phosphatase 1B CHEMBL2845 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibitory activity against protein phosphatase 2A from human red blood cells | 15050639 |
| Protein phosphatase 1B | IC50 | = | 60000.0 | nM | 4.22 | Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle | 15050639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15050639 | 10.1016/j.bmcl.2004.01.093 | Protein phosphatase 1B | 1 |
| 15050639 | 10.1016/j.bmcl.2004.01.093 | Unchecked | 1 |
| 15050639 | 10.1016/j.bmcl.2004.01.093 | A2780 | 1 |
| 15050639 | 10.1016/j.bmcl.2004.01.093 | G-401 | 1 |
| 15050639 | 10.1016/j.bmcl.2004.01.093 | HT-29 | 1 |
| 15050639 | 10.1016/j.bmcl.2004.01.093 | NCI-H460 | 1 |
| 15050639 | 10.1016/j.bmcl.2004.01.093 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine