Compound Detail
CHEMBL298459
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Basic Information
| ChEMBL ID | CHEMBL298459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGZNKYUFMDFMNL-GGXJOPMJSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
0.31
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 28000.0 | nM | 4.55 | Inhibitory activity against colon tumor cell line HT-29 after 72 hr continuous e... | 10937725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881984 | 10.1021/jm010066k | Unchecked | 5 |
| 11881984 | 10.1021/jm010066k | Serine-threonine protein phosphatase 2A regulatory subunit | 2 |
| 11881984 | 10.1021/jm010066k | Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | Protein phosphatase 1B | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | Serine-threonine protein phosphatase 2A regulatory subunit | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | A2780 | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | ADDP cell line | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | 143B | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | HCT-116 | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine