Compound Detail
CHEMBL4436958
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
Basic Information
| ChEMBL ID | CHEMBL4436958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZCIFBDWNONTAH-XFFZJAGNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.2
MW (Da)
2.68
ALogP
4
HBA
1
HBD
85.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.89 | 4.89 | 12750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 12750.0 | nM | 4.89 | Inhibition of recombinant human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as ... | 30902399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30902399 | 10.1016/j.bmc.2019.03.028 | Glycogen synthase kinase-3 beta | 2 |
| 30902399 | 10.1016/j.bmc.2019.03.028 | A549 | 1 |
Data from ChEMBL 36 via Core Engine