Compound Detail
CHEMBL4078038
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
O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(OC4CCCC4)c3c2)c1F)c1cccc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL4078038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAWXZADRFFCXNH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.0
MW (Da)
5.41
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.34
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886 | IC50 | 6.84 | 6.84 | 143.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 20 | IC50 | = | 143.7 | nM | 6.84 | Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed ... | 28586211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28586211 | 10.1021/acs.jmedchem.7b00572 | Serine/threonine-protein kinase B-raf | 2 |
| 28586211 | 10.1021/acs.jmedchem.7b00572 | Mitogen-activated protein kinase kinase kinase 20 | 1 |
Data from ChEMBL 36 via Core Engine