Compound Detail
CHEMBL5781070
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Basic Information
| ChEMBL ID | CHEMBL5781070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMWJYKRUKGMKJV-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.28
ALogP
8
HBA
3
HBD
127.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Cyclin-dependent kinase 5 activator 1 CHEMBL2783 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| CDK3/Cyclin E CHEMBL3038471 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.36 | 6.36 | 436.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Cyclin A2 | IC50 | = | 16.0 | nM | 7.8 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 19.0 | nM | 7.72 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| Cyclin-dependent kinase 5 activator 1 | IC50 | = | 48.0 | nM | 7.32 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| CDK3/Cyclin E | IC50 | = | 73.0 | nM | 7.14 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| Cyclin-dependent kinase 1 | IC50 | = | 108.0 | nM | 6.97 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| CDK9/cyclin T1 | IC50 | = | 240.0 | nM | 6.62 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 436.0 | nM | 6.36 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
Data from ChEMBL 36 via Core Engine