Compound Detail
CHEMBL5950534
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)C[C@@H](C)NC5)ncc3F)cc2n1C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5950534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKKUZTDMJDZHEB-CYBMUJFWSA-N |
7
Targets
28
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
5.01
ALogP
7
HBA
2
HBD
80.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 28 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.96 | 8.88 | 1.1 | 4 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.53 | 8.47 | 3.0 | 4 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.26 | 8.205 | 5.4 | 4 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.95 | 7.73 | 11.2 | 4 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 7.8 | 7.565 | 15.9 | 4 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.26 | 7.02 | 55.1 | 4 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 7.0 | 6.99 | 99.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine