Compound Detail
CHEMBL5774515
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)OCCN(C)C)C5)ncc3F)cc2n1C1CC1
Basic Information
| ChEMBL ID | CHEMBL5774515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLZHLULRODUOPS-UHFFFAOYSA-N |
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
4.61
ALogP
9
HBA
1
HBD
101.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.6 | 8.6 | 2.5 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.47 | 8.47 | 3.4 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.09 | 7.09 | 82.0 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.75 | 6.75 | 178.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.46 | 6.46 | 346.0 | 2 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.89 | 5.89 | 1280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine