Compound Detail
CHEMBL36664
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Basic Information
| ChEMBL ID | CHEMBL36664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUZLGHFSENSWAU-RELWKKBWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.20
ALogP
7
HBA
3
HBD
139.2
PSA (Ų)
0.18
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| COS-7 CHEMBL614564 | IC50 | 6.52 | 6.52 | 300.0 | 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 | = | 8.0 | nM | 8.1 | Inhibitory potency against mitogen activated protein kinase kinase 1 | 15006386 |
| COS-7 | IC50 | = | 300.0 | nM | 6.52 | Inhibitory concentration against AP-1 transcription in COS-7 cells | 15006386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15006386 | 10.1016/j.bmcl.2004.01.012 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 15006386 | 10.1016/j.bmcl.2004.01.012 | COS-7 | 1 |
Data from ChEMBL 36 via Core Engine