Compound Detail
CHEMBL5814705
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CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)C4)ncn2)C1
Basic Information
| ChEMBL ID | CHEMBL5814705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXQQVRHUSGAJDV-LSDHHAIUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
2.56
ALogP
6
HBA
2
HBD
101.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| 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 9 CHEMBL3116 | IC50 | 8.15 | 7.185 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 7.0 | nM | 8.15 | Kinase Assay (ATP Concentration at Km): Activity of CDK9 was determined in-vitro... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 606.0 | nM | 6.22 | Kinase Assay (High ATP Concentration): Activity of CDK9 was determined in-vitro ... | - |
Data from ChEMBL 36 via Core Engine