Compound Detail
CHEMBL5832698
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)[C@@H](C)N(C)C)C5)ncc3F)cc2n1C1CC1
Basic Information
| ChEMBL ID | CHEMBL5832698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIHKFIWSMAISST-OAHLLOKOSA-N |
6
Targets
24
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
4.39
ALogP
8
HBA
1
HBD
92.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 24 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.78 | 8.705 | 1.6 | 4 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.38 | 8.345 | 4.2 | 4 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.98 | 6.91 | 105.0 | 4 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.35 | 6.3 | 444.0 | 4 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.31 | 6.155 | 491.0 | 4 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.25 | 6.18 | 563.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine