Compound Detail
CHEMBL606982
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Basic Information
| ChEMBL ID | CHEMBL606982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGHXLJYUHNFIHD-WAVHTBQISA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.2
MW (Da)
3.32
ALogP
6
HBA
3
HBD
116.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 4.955 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamm... | 19665384 |
| Glycogen synthase kinase-3 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of porcine brain GSK3alpha/beta assessed as [gamma-33P]ATP incorporat... | 19665384 |
| Unchecked | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of Marthasterias glacialis CDK1/cyclin-B assessed as [gamma-33P]ATP i... | 19665384 |
| Unchecked | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of porcine brain CK1 assessed as [gamma-33P]ATP incorporation after 1... | 19665384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19665384 | 10.1016/j.bmc.2009.07.051 | Unchecked | 2 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine