Compound Detail
CHEMBL1782170
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Basic Information
| ChEMBL ID | CHEMBL1782170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSSHEITWSXIQFH-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
1.96
ALogP
2
HBA
2
HBD
71.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.355 | 3400.0 | 2 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| CDK9/Cyclin T CHEMBL5291961 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human recombinant CDK9/cyclin T expressed in insect cells assessed... | 20621478 |
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of porcine brain GSK3 assessed as incorporation of [gamma-33P]-ATP in... | 20621478 |
| Unchecked | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of M-phase starfish oocytes CDK1/cyclin B assessed as incorporation o... | 20621478 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of human recombinant CDK2/cyclin A assessed as incorporation of [gamm... | 20621478 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of human recombinant CDK5/p25 assessed as incorporation of [gamma-33P... | 20621478 |
| CDK9/Cyclin T | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of CDK9/Cyclin T (unknown origin) | 33901899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20621478 | 10.1016/j.bmcl.2010.06.024 | Unchecked | 2 |
| 20621478 | 10.1016/j.bmcl.2010.06.024 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 20621478 | 10.1016/j.bmcl.2010.06.024 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 20621478 | 10.1016/j.bmcl.2010.06.024 | CDK9/cyclin T1 | 1 |
| 20621478 | 10.1016/j.bmcl.2010.06.024 | Casein kinase I isoform alpha | 1 |
| 20621478 | 10.1016/j.bmcl.2010.06.024 | Dual specificity protein kinase CLK1 | 1 |
| 20621478 | 10.1016/j.bmcl.2010.06.024 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 20621478 | 10.1016/j.bmcl.2010.06.024 | Glycogen synthase kinase 3 | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Unchecked | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Casein kinase I | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | CDK9/Cyclin T | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Dual specificity protein kinase CLK1 | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine