Compound Detail
CHEMBL5875602
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cnc(NC(=O)[C@H]2CCC[C@@H](NC(=O)C3COC3)C2)cc1-c1cnn2c1CC(C)(C)C2
Basic Information
| ChEMBL ID | CHEMBL5875602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNMSUGRKZJRLFE-FUHWJXTLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
3.10
ALogP
6
HBA
2
HBD
98.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 9.0 | nM | 8.05 | Kinase Assay (High ATP Concentration): Activity of CDK9 was determined in-vitro ... | - |
Data from ChEMBL 36 via Core Engine