Compound Detail
CHEMBL5758346
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Basic Information
| ChEMBL ID | CHEMBL5758346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVRCXPPQBIKZFQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
3.04
ALogP
7
HBA
5
HBD
125.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.55 | 6.55 | 284.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 6.46 | 6.46 | 349.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.22 | 6.22 | 595.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 6.08 | 6.08 | 841.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 284.0 | nM | 6.55 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 349.0 | nM | 6.46 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 595.0 | nM | 6.22 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
| CDK2/Cyclin A2 | IC50 | = | 841.0 | nM | 6.08 | CDK Inhibition In Vitro Assay: Selected compounds disclosed herein were tested i... | - |
Data from ChEMBL 36 via Core Engine