Compound Detail
CHEMBL5977417
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Basic Information
| ChEMBL ID | CHEMBL5977417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLOYKGKISZOLGG-PHIMTYICSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
2.64
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.52 | 7.645 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 3.0 | nM | 8.52 | Kinase Assay (ATP Concentration at Km): Activity of CDK9 was determined in-vitro... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 170.0 | nM | 6.77 | Kinase Assay (High ATP Concentration): Activity of CDK9 was determined in-vitro ... | - |
Data from ChEMBL 36 via Core Engine