Compound Detail
CHEMBL445348
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Basic Information
| ChEMBL ID | CHEMBL445348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKBYXQQHOAZMPQ-HPBPSMLHSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
2.61
ALogP
5
HBA
4
HBD
102.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.06 | 6.73 | 88.0 | 2 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 88.0 | nM | 7.06 | Inhibition of Marthasterias glacialis CDK1/cyclin-B assessed as [gamma-33P]ATP i... | 19665384 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamm... | 19665384 |
| Glycogen synthase kinase-3 | IC50 | = | 350.0 | nM | 6.46 | Inhibition of porcine brain GSK3alpha/beta assessed as [gamma-33P]ATP incorporat... | 19665384 |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of porcine brain CK1 assessed as [gamma-33P]ATP incorporation after 1... | 19665384 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 15000.0 | nM | 4.82 | 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 |
| 19282173 | 10.1016/j.bmcl.2009.02.083 | Molecular identity unknown | 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 | Glycogen synthase kinase-3 | 1 |
| 19665384 | 10.1016/j.bmc.2009.07.051 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine