Compound Detail
CHEMBL29714
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Basic Information
| ChEMBL ID | CHEMBL29714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJFKJWBIIASAMU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
6.11
ALogP
8
HBA
1
HBD
79.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.96 | 8.6 | 1.1 | 2 |
| LoVo CHEMBL614721 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 1.1 | nM | 8.96 | Inhibitory activity against Dual specificity mitogen-activated protein kinase ki... | 11378365 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 5.7 | nM | 8.24 | Inhibitory activity against Dual specificity mitogen-activated protein kinase ki... | 11378365 |
| LoVo | IC50 | = | 220.0 | nM | 6.66 | Inhibition of LoVo human colon tumor cell proliferation | 11378365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11378365 | 10.1016/s0960-894x(01)00238-4 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 11378365 | 10.1016/s0960-894x(01)00238-4 | LoVo | 1 |
Data from ChEMBL 36 via Core Engine