Compound Detail
CHEMBL4878046
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Basic Information
| ChEMBL ID | CHEMBL4878046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBVKYTFESIYABI-JOCQHMNTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
2.03
ALogP
6
HBA
4
HBD
113.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL1795174 | IC50 | 6.67 | 6.67 | 212.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULig... | 34894681 |
| Mitogen-activated protein kinase 8 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULig... | 34894681 |
| Mitogen-activated protein kinase 8 | IC50 | = | 212.0 | nM | 6.67 | Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosp... | 34894681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34894681 | 10.1021/acs.jmedchem.1c01716 | Mitogen-activated protein kinase 8 | 2 |
| 34894681 | 10.1021/acs.jmedchem.1c01716 | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine