Compound Detail
CHEMBL4790081
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
COc1ccc(-c2cnc3[nH]nc(C(=O)c4cccc(NS(C)(=O)=O)c4F)c3c2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL4790081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFHNQRIASNEIAT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.9
MW (Da)
4.03
ALogP
6
HBA
2
HBD
114.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 CHEMBL2897 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 4 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of MKK4/(unknown origin) using JNK1 as substrate in presence of [gamm... | - |
Data from ChEMBL 36 via Core Engine