Compound Detail
CHEMBL4877727
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Basic Information
| ChEMBL ID | CHEMBL4877727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFZJFPUOKUFWQU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
4.38
ALogP
6
HBA
2
HBD
71.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of JNK3alpha1 (unknown origin) using biotinylated FL-ATF-2 as substra... | 34676036 |
| Mitogen-activated protein kinase 14 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of p38 alpha (unknown origin) using biotinylated FL-ATF-2 as substrat... | 34676036 |
| Mitogen-activated protein kinase 9 | IC50 | = | 74.0 | nM | 7.13 | Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate mea... | 34676036 |
| Mitogen-activated protein kinase 8 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate mea... | 34676036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Unchecked | 3 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Mitogen-activated protein kinase 10 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Mitogen-activated protein kinase 8 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Mitogen-activated protein kinase 9 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine