Compound Detail
CHEMBL604270
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Basic Information
| ChEMBL ID | CHEMBL604270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKLVJGBLXVWFCJ-NXVVXOECSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.2
MW (Da)
3.38
ALogP
4
HBA
3
HBD
87.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | Inhibition of Marthasterias glacialis CDK1/cyclin-B assessed as [gamma-33P]ATP i... | 19665384 |
| Glycogen synthase kinase-3 | IC50 | = | 73.0 | nM | 7.14 | Inhibition of porcine brain GSK3alpha/beta assessed as [gamma-33P]ATP incorporat... | 19665384 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamm... | 19665384 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of GST-fused rat recombinant DYRK1A expressed in Escherichia coli ass... | 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 | Glycogen synthase kinase-3 | 1 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine