Compound Detail
CHEMBL5856237
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)[C@@H](C)N(C)C)C5)ncc3F)cc2n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL5856237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSIOYGMEKCPFAV-MRXNPFEDSA-N |
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
4.63
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 12 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.84 | 8.84 | 1.4 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.61 | 8.61 | 2.4 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.35 | 8.35 | 4.5 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.55 | 7.55 | 28.3 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.16 | 7.16 | 69.0 | 2 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.55 | 5.55 | 2819.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine