Compound Detail
CHEMBL2386094
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O=C1NC(=O)C(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCOCC2)CC3)=C1c1coc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL2386094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANVVOODAIJRKDL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.5
MW (Da)
3.36
ALogP
6
HBA
1
HBD
97.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 10.89 | 10.89 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 0.013 | nM | 10.89 | 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