Compound Detail
CHEMBL5414905
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5414905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQKMSJFNACXHSL-HNNXBMFYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
3.80
ALogP
7
HBA
3
HBD
94.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 12 CHEMBL3559692 | IC50 | 7.66 | 7.495 | 22.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.47 | 5.47 | 3410.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 4.67 | 4.67 | 21200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 12 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of GST-tagged recombinant human CDK12 (696 to 1082 residues) expresse... | 37731700 |
| Cyclin-dependent kinase 2 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of full length recombinant human CDK2 expressed in Insect cell in pre... | 37731700 |
| Cyclin-dependent kinase 12 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of GST-tagged recombinant human CDK12 (696 to 1082 residues) expresse... | 37731700 |
| Cyclin-dependent kinase 9 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of full length recombinant human CDK9 expressed in Insect cell in pre... | 37731700 |
| Cyclin-dependent kinase 1 | IC50 | = | 3410.0 | nM | 5.47 | Inhibition of full length recombinant human CDK1 expressed in Insect cell in pre... | 37731700 |
| Cyclin-dependent kinase 7 | IC50 | = | 21200.0 | nM | 4.67 | Inhibition of full length recombinant human CDK7 expressed in Insect cell in pre... | 37731700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731700 | 10.1039/d3md00004d | Cyclin-dependent kinase 12 | 2 |
| 37731700 | 10.1039/d3md00004d | Cyclin-dependent kinase 9 | 1 |
| 37731700 | 10.1039/d3md00004d | Cyclin-dependent kinase 7 | 1 |
| 37731700 | 10.1039/d3md00004d | Cyclin-dependent kinase 2 | 1 |
| 37731700 | 10.1039/d3md00004d | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine