Compound Detail
CHEMBL383955
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 | CHEMBL383955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLVWDHAXEFKTIB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
516.0
MW (Da)
4.10
ALogP
7
HBA
1
HBD
97.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.82 | 6.82 | 150.0 | 3 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.19 | 6.19 | 650.0 | 2 |
| SCG CHEMBL612405 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human JNK3 | 15615541 |
| Mitogen-activated protein kinase 10 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of JNK3 | 17451961 |
| Mitogen-activated protein kinase 10 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of recombinant GST-JNK3 after 120 mins | 20146479 |
| Mitogen-activated protein kinase 9 | IC50 | = | 650.0 | nM | 6.19 | Inhibition of human JNK2 | 15615541 |
| Mitogen-activated protein kinase 9 | IC50 | = | 650.0 | nM | 6.19 | Inhibition of recombinant GST-JNK2 after 120 mins | 20146479 |
| SCG | IC50 | = | 1700.0 | nM | 5.77 | Protection against NGF deprivation-induced neuronal apoptosis in rat SCG cells a... | 20146479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615541 | 10.1021/jm031112e | SCG | 6 |
| 15615541 | 10.1021/jm031112e | Unchecked | 3 |
| 15615541 | 10.1021/jm031112e | Mitogen-activated protein kinase 1 | 2 |
| 15615541 | 10.1021/jm031112e | Mitogen-activated protein kinase 10 | 2 |
| 15615541 | 10.1021/jm031112e | Mitogen-activated protein kinase 8 | 2 |
| 15615541 | 10.1021/jm031112e | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 15615541 | 10.1021/jm031112e | Protein kinase C gamma type | 1 |
| 15615541 | 10.1021/jm031112e | Protein kinase C epsilon type | 1 |
| 15615541 | 10.1021/jm031112e | Tyrosine-protein kinase CSK | 1 |
| 15615541 | 10.1021/jm031112e | Serine/threonine-protein kinase N2 | 1 |
| 15615541 | 10.1021/jm031112e | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 15615541 | 10.1021/jm031112e | RAC-gamma serine/threonine-protein kinase | 1 |
| 15615541 | 10.1021/jm031112e | RAC-beta serine/threonine-protein kinase | 1 |
| 15615541 | 10.1021/jm031112e | CDK6/cyclin D3 | 1 |
| 15615541 | 10.1021/jm031112e | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 20146479 | 10.1021/jm9003279 | SCG | 1 |
| 15615541 | 10.1021/jm031112e | Mitogen-activated protein kinase 14 | 1 |
| 15615541 | 10.1021/jm031112e | Tyrosine-protein kinase Lck | 1 |
| 15615541 | 10.1021/jm031112e | Mitogen-activated protein kinase 11 | 1 |
| 15615541 | 10.1021/jm031112e | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine