Compound Detail
CHEMBL2180848
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Basic Information
| ChEMBL ID | CHEMBL2180848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLINOTAGIDPFDA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.62
ALogP
4
HBA
2
HBD
74.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQpSEDEEE as... | 23083119 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamm... | 23083119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23083119 | 10.1021/jm3008536 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 23083119 | 10.1021/jm3008536 | Glycogen synthase kinase-3 | 1 |
| 23083119 | 10.1021/jm3008536 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
Data from ChEMBL 36 via Core Engine