Compound Detail
CHEMBL30728
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Basic Information
| ChEMBL ID | CHEMBL30728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBPBKOURPXLMAP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
5.55
ALogP
7
HBA
1
HBD
79.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.57 | 8.21 | 2.7 | 2 |
| LoVo CHEMBL614721 | IC50 | 6.68 | 6.68 | 210.0 | 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 | = | 2.7 | nM | 8.57 | Inhibitory activity against Dual specificity mitogen-activated protein kinase ki... | 11378365 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 14.0 | nM | 7.85 | Inhibitory activity against Dual specificity mitogen-activated protein kinase ki... | 11378365 |
| LoVo | IC50 | = | 210.0 | nM | 6.68 | 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 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine