Compound Detail
CHEMBL5980080
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Basic Information
| ChEMBL ID | CHEMBL5980080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMEQMRCCKBMZLT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.61
ALogP
6
HBA
1
HBD
66.3
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 7.64 | 7.64 | 22.9 | 1 |
| CDK2/Cyclin-E2 CHEMBL4523633 | IC50 | 7.13 | 7.13 | 73.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK6/cyclin D3 | IC50 | = | 22.9 | nM | 7.64 | Kinase Inhibitory Activity Assay: 1.2.2 Preparation of kinase solution: Kina... | - |
| CDK2/Cyclin-E2 | IC50 | = | 73.7 | nM | 7.13 | Kinase Inhibitory Activity Assay: 1.2.2 Preparation of kinase solution: Kina... | - |
Data from ChEMBL 36 via Core Engine