Compound Detail
CHEMBL2386090
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=C1NC(=O)C(c2cn3c4c(cccc24)CN(C(=O)c2cnccn2)CC3)=C1c1coc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL2386090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CISDYZOOSAEOAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
3.40
ALogP
7
HBA
1
HBD
110.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 0.2 | nM | 9.7 | Inhibition of human GSK3beta-mediated YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE phosphorylat... | 23725591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23725591 | 10.1021/jm400511s | ADMET | 2 |
| 23725591 | 10.1021/jm400511s | Glycogen synthase kinase-3 beta | 2 |
Data from ChEMBL 36 via Core Engine