Compound Detail
CHEMBL1922121
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Basic Information
| ChEMBL ID | CHEMBL1922121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGGGWZCOULSEER-PYUWXLGESA-N |
8
Targets
11
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.62
ALogP
8
HBA
3
HBD
100.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Cyclin-dependent kinase 7/ cyclin H CHEMBL2111288 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of CDK2/cyclin E | 21982796 |
| Cyclin-dependent kinase 2 | IC50 | = | 690.0 | nM | 6.16 | Kinase Assay: The compounds from the examples below were investigated for their ... | - |
| Cyclin-dependent kinase 7/ cyclin H | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of CDK7/cyclin H | 21982796 |
| Cyclin-dependent kinase 7 | IC50 | = | 2200.0 | nM | 5.66 | Kinase Assay: The compounds from the examples below were investigated for their ... | - |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of CDK1/cyclin B | 21982796 |
| Cyclin-dependent kinase 1 | IC50 | = | 20000.0 | nM | 4.7 | Kinase Assay: The compounds from the examples below were investigated for their ... | - |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of CDK4/cyclin D1 | 21982796 |
| Cyclin-dependent kinase 4 | IC50 | = | 21000.0 | nM | 4.68 | Kinase Assay: The compounds from the examples below were investigated for their ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21982796 | 10.1016/j.bmc.2011.08.051 | Unchecked | 3 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | A2780 | 2 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | CH1 | 2 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | Cyclin-dependent kinase 7/ cyclin H | 1 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | Mitogen-activated protein kinase 1 | 1 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | HCT-116 | 1 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | HT-29 | 1 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | KM12 | 1 |
| 21982796 | 10.1016/j.bmc.2011.08.051 | Liver | 1 |
Data from ChEMBL 36 via Core Engine