Compound Detail
CHEMBL288229
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
CCSCc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2[C@@]1(C)O[C@@H]5C[C@]1(O)C(=O)OC)C(=O)NC3
Basic Information
| ChEMBL ID | CHEMBL288229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFLRHQRKTYVKGB-RIGQTMPJSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
4.91
ALogP
8
HBA
2
HBD
94.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 9 CHEMBL2872 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 10 CHEMBL2873 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of Mixed lineage kinase 3 (MLK3) | 11755341 |
| Mitogen-activated protein kinase kinase kinase 9 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of Mixed lineage kinase 1 (MLK1) | 11755341 |
| Mitogen-activated protein kinase kinase kinase 10 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of Mixed lineage kinase 2(MLK2) | 11755341 |
| High affinity nerve growth factor receptor | IC50 | = | 61.0 | nM | 7.21 | Inhibition of NGF high affinity receptor tyrosine kinase TrkA | 11755341 |
| Protein kinase C (PKC) | IC50 | = | 400.0 | nM | 6.4 | Inhibition of protein kinase C (PKC) from rat brain homogenate | 11755341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11755341 | 10.1016/s0960-894x(01)00690-4 | Mitogen-activated protein kinase kinase kinase 9 | 1 |
| 11755341 | 10.1016/s0960-894x(01)00690-4 | Mitogen-activated protein kinase kinase kinase 10 | 1 |
| 11755341 | 10.1016/s0960-894x(01)00690-4 | Mitogen-activated protein kinase kinase kinase 11 | 1 |
| 11755341 | 10.1016/s0960-894x(01)00690-4 | Protein kinase C (PKC) | 1 |
| 11755341 | 10.1016/s0960-894x(01)00690-4 | High affinity nerve growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine