Compound Detail
CHEMBL1933928
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Basic Information
| ChEMBL ID | CHEMBL1933928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUTGQSGXRGUYMD-LLVKDONJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
579.8
MW (Da)
3.08
ALogP
7
HBA
5
HBD
119.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 CHEMBL2111289 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.05 | 6.05 | 896.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 2... | 22119475 |
| Unchecked | IC50 | = | 76.0 | nM | 7.12 | Inhibition of Erk phosphorylation in human HT-29 cells | 22119475 |
| HT-29 | IC50 | = | 896.0 | nM | 6.05 | Antiproliferative activity against human HT-29 cells | 22119475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22119475 | 10.1016/j.bmcl.2011.10.105 | Unchecked | 1 |
| 22119475 | 10.1016/j.bmcl.2011.10.105 | HT-29 | 1 |
| 22119475 | 10.1016/j.bmcl.2011.10.105 | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | 1 |
Data from ChEMBL 36 via Core Engine