Compound Detail
CHEMBL4784656
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Basic Information
| ChEMBL ID | CHEMBL4784656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBFBGDRIHBSNMU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
2.67
ALogP
4
HBA
2
HBD
91.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 CHEMBL1795192 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 | IC50 | = | 7.0 | nM | 8.15 | Binding affinity to CDK13 (unknown origin) by TR-FRET assay | - |
| Cyclin-dependent kinase 7 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of CDK7 (unknown origin) using ULight -mylein basic protein as substr... | - |
Data from ChEMBL 36 via Core Engine