Compound Detail
CHEMBL4877560
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4877560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBJRYHNRBNLHDF-JHJVBQTASA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
1.54
ALogP
7
HBA
3
HBD
111.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 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 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1257.98 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 87.0 | mL.min-1.kg-1 | Rattus norvegicus |
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 | = | 20.0 | nM | 7.7 | Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULig... | 34894681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34894681 | 10.1021/acs.jmedchem.1c01716 | ADMET | 6 |
| 34894681 | 10.1021/acs.jmedchem.1c01716 | Mitogen-activated protein kinase 8 | 1 |
| 34894681 | 10.1021/acs.jmedchem.1c01716 | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine