Compound Detail
CHEMBL4874134
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Basic Information
| ChEMBL ID | CHEMBL4874134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMMMCYBZGARUKP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
12
Publications
0
Known Names
Molecular Properties
400.9
MW (Da)
4.98
ALogP
5
HBA
2
HBD
59.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.21 | 6.21 | 619.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6167 | hr | Homo sapiens |
| T1/2 | 0.7 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of JNK3alpha1 (unknown origin) using biotinylated FL-ATF-2 as substra... | 34676036 |
| Mitogen-activated protein kinase 9 | IC50 | = | 93.0 | nM | 7.03 | Inhibition of JNK2 (unknown origin) using biotinylated FL-ATF-2 as substrate mea... | 34676036 |
| Mitogen-activated protein kinase 14 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of p38 alpha (unknown origin) using biotinylated FL-ATF-2 as substrat... | 34676036 |
| Mitogen-activated protein kinase 8 | IC50 | = | 619.0 | nM | 6.21 | 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 | 2 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | ADMET | 2 |
| 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 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Cytochrome P450 1A2 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Cytochrome P450 2C9 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Cytochrome P450 2D6 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Cytochrome P450 3A4 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine