Compound Detail
CHEMBL5892074
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 | CHEMBL5892074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHDHBZVTAJDTDO-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.33
ALogP
8
HBA
4
HBD
124.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.84 | 6.84 | 146.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.76 | 6.76 | 172.0 | 1 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 6.54 | 6.54 | 291.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 5.0 | nM | 8.3 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| CDK2/Cyclin A2 | IC50 | = | 16.0 | nM | 7.8 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| CDK9/cyclin T1 | IC50 | = | 89.0 | nM | 7.05 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| Cyclin-dependent kinase 1 | IC50 | = | 146.0 | nM | 6.84 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 172.0 | nM | 6.76 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| CDK6/cyclin D3 | IC50 | = | 291.0 | nM | 6.54 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
Data from ChEMBL 36 via Core Engine