Compound Detail
CHEMBL3966476
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
CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NCc5cn(CCCNC(=O)c6ccc7c(c6)C6(OC7=O)c7ccc(O)cc7Oc7cc(O)ccc76)nn5)c4)c(C)nc23)ccn1
Basic Information
| ChEMBL ID | CHEMBL3966476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIGPRBDTIUBAGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
983.5
MW (Da)
6.81
ALogP
17
HBA
5
HBD
246.3
PSA (Ų)
0.05
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 7.41 | 7.41 | 39.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta | IC50 | = | 39.4 | nM | 7.41 | Inhibition of 6xHisGB1 tagged PI4KB (unknown origin) expressed in Escherichia co... | 28004946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28004946 | 10.1021/acs.jmedchem.6b01466 | ADMET | 1 |
| 28004946 | 10.1021/acs.jmedchem.6b01466 | Phosphatidylinositol 4-kinase beta | 1 |
Data from ChEMBL 36 via Core Engine