Compound Detail
CHEMBL397949
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Basic Information
| ChEMBL ID | CHEMBL397949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYBDFTOKGKWXLM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
5.18
ALogP
6
HBA
3
HBD
106.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.81 | 6.81 | 156.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Tpl2 by ELISA | 17715908 |
| Epidermal growth factor receptor | IC50 | = | 156.0 | nM | 6.81 | Inhibition of P-EGFR expressed in A431 cells | 17715908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17715908 | 10.1021/jm070436q | Mitogen-activated protein kinase kinase kinase 8 | 1 |
| 17715908 | 10.1021/jm070436q | Epidermal growth factor receptor | 1 |
| 17715908 | 10.1021/jm070436q | Monocyte | 1 |
| 17715908 | 10.1021/jm070436q | Blood | 1 |
Data from ChEMBL 36 via Core Engine