Compound Detail
CHEMBL3355174
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Basic Information
| ChEMBL ID | CHEMBL3355174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUDZNCZDKGCXRX-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
2
PK Parameters
15
Publications
0
Known Names
Molecular Properties
463.9
MW (Da)
5.20
ALogP
6
HBA
3
HBD
105.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.94 | 6.215 | 114.0 | 2 |
| SH-SY5Y CHEMBL614910 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.44 | 5.44 | 3623.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.3 | 5.3 | 5046.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.65 | hr | Homo sapiens |
| T1/2 | 0.6167 | 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 | = | 114.0 | nM | 6.94 | Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolve... | 25393557 |
| SH-SY5Y | IC50 | = | 130.0 | nM | 6.89 | Inhibition of 6-OHDA-induced mitochondrial depolarization in human SH-SY5Y cells | 25393557 |
| Mitogen-activated protein kinase 9 | IC50 | = | 158.0 | nM | 6.8 | Inhibition of JNK2 (unknown origin) after 1 hr by homogeneous time-resolved fluo... | 25393557 |
| Mitogen-activated protein kinase 10 | IC50 | = | 3250.0 | nM | 5.49 | Inhibition of JNK3 in human SH-SY5Y cells assessed as reduction in c-Jun phospho... | 25393557 |
| Mitogen-activated protein kinase 14 | IC50 | = | 3623.0 | nM | 5.44 | Inhibition of p38alpha (unknown origin) after 1 hr by homogeneous time-resolved ... | 25393557 |
| Mitogen-activated protein kinase 8 | IC50 | = | 5046.0 | nM | 5.3 | Inhibition of JNK1 (unknown origin) after 1 hr by homogeneous time-resolved fluo... | 25393557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25393557 | 10.1021/jm501256y | Mitogen-activated protein kinase 10 | 2 |
| 25393557 | 10.1021/jm501256y | No relevant target | 2 |
| 25393557 | 10.1021/jm501256y | ADMET | 2 |
| 25393557 | 10.1021/jm501256y | Mitogen-activated protein kinase 8 | 1 |
| 25393557 | 10.1021/jm501256y | Unchecked | 1 |
| 25393557 | 10.1021/jm501256y | Mitogen-activated protein kinase 9 | 1 |
| 25393557 | 10.1021/jm501256y | Liver microsome | 1 |
| 25393557 | 10.1021/jm501256y | Liver | 1 |
| 25393557 | 10.1021/jm501256y | Cytochrome P450 1A2 | 1 |
| 25393557 | 10.1021/jm501256y | Cytochrome P450 2C9 | 1 |
| 25393557 | 10.1021/jm501256y | Cytochrome P450 2D6 | 1 |
| 25393557 | 10.1021/jm501256y | Cytochrome P450 3A4 | 1 |
| 25393557 | 10.1021/jm501256y | NON-PROTEIN TARGET | 1 |
| 25393557 | 10.1021/jm501256y | SH-SY5Y | 1 |
| 25393557 | 10.1021/jm501256y | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine