Compound Detail
CHEMBL194721
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Basic Information
| ChEMBL ID | CHEMBL194721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEYQVGAFBVFHAU-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
404.8
MW (Da)
5.51
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 9.05 | 9.025 | 0.9 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.7 | 6.8433 | 20.0 | 3 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 7.54 | 7.54 | 29.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 | IC50 | = | 0.9 | nM | 9.05 | Inhibitory concentration against Cyclin dependent kinase 1 | 15808450 |
| Cyclin-dependent kinase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of CDK1 | 16584130 |
| Cyclin-dependent kinase 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of CDK2 | 16584130 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration against Cyclin dependent kinase 2 | 15808450 |
| Cyclin-dependent kinase 4 | IC50 | = | 29.0 | nM | 7.54 | Inhibitory concentration against Cyclin dependent kinase 4 | 15808450 |
| Cyclin-dependent kinase 4 | IC50 | = | 29.0 | nM | 7.54 | Inhibition of CDK4 | 16584130 |
| Unchecked | IC50 | = | 290.0 | nM | 6.54 | Inhibitory concentration against Platelet-derived growth factor receptor | 15808450 |
| Unchecked | IC50 | = | 510.0 | nM | 6.29 | Inhibitory concentration against Casein kinase 2 | 15808450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808450 | 10.1016/j.bmcl.2005.02.076 | Unchecked | 4 |
| 15808450 | 10.1016/j.bmcl.2005.02.076 | Cyclin-dependent kinase 4 | 2 |
| 15808450 | 10.1016/j.bmcl.2005.02.076 | Cyclin-dependent kinase 1 | 1 |
| 15808450 | 10.1016/j.bmcl.2005.02.076 | Mitogen-activated protein kinase 3 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 4 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 2 | 1 |
| 16584130 | 10.1208/aapsj080125 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine