Compound Detail
CHEMBL5886747
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Basic Information
| ChEMBL ID | CHEMBL5886747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BONJLZFNDLMWRE-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.37
ALogP
7
HBA
2
HBD
80.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 9.04 | 9.04 | 0.9 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.66 | 8.66 | 2.2 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.99 | 7.99 | 10.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 0.92 | nM | 9.04 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 0.92 | nM | 9.04 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.21 | nM | 8.66 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.21 | nM | 8.66 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 10.3 | nM | 7.99 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 10.3 | nM | 7.99 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine