Compound Detail
CHEMBL5753333
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
COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)cc(SCCN2CCOCC2)c1
Basic Information
| ChEMBL ID | CHEMBL5753333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSWYLPLWYYMLCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
759.0
MW (Da)
9.03
ALogP
11
HBA
3
HBD
127.7
PSA (Ų)
0.10
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 6.65 | 6.65 | 224.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 5.55 | 5.55 | 2824.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 12 | IC50 | = | 224.0 | nM | 6.65 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 2824.0 | nM | 5.55 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
Data from ChEMBL 36 via Core Engine