Compound Detail
CHEMBL4789890
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Basic Information
| ChEMBL ID | CHEMBL4789890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBRFXZJIFIXQNC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
4.67
ALogP
7
HBA
2
HBD
87.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.54 | 5.54 | 2870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of CDK9 (unknown origin) | - |
| Cyclin-dependent kinase 7 | IC50 | = | 2870.0 | nM | 5.54 | Inhibition of CDK7 (unknown origin) | - |
Data from ChEMBL 36 via Core Engine