Compound Detail
CHEMBL5819513
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C[C@@]1(O)CCC[C@H]1n1c(=O)ccc2cnc(NC3CCN(S(=O)(=O)C4CCS(=O)(=O)C4)CC3)nc21
Basic Information
| ChEMBL ID | CHEMBL5819513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIKANIDALXMREF-WMISUKIASA-N |
2
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
0.66
ALogP
10
HBA
2
HBD
151.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | Ki | 9.6 | 9.53 | 0.2 | 6 |
| CDK6/cyclin D1 CHEMBL2111455 | Ki | 9.08 | 8.945 | 0.8 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine