Compound Detail
CHEMBL5826159
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Basic Information
| ChEMBL ID | CHEMBL5826159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCHSQRHUYMCBGJ-LSDHHAIUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
2.31
ALogP
6
HBA
2
HBD
101.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.44 | 6.385 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 36.0 | nM | 7.44 | Kinase Assay (ATP Concentration at Km): Activity of CDK9 was determined in-vitro... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 4714.0 | nM | 5.33 | Kinase Assay (High ATP Concentration): Activity of CDK9 was determined in-vitro ... | - |
Data from ChEMBL 36 via Core Engine