Compound Detail
CHEMBL5994564
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C[C@@H]4CCCN4C)C5)ncc3F)cc2n1C1CC1
Basic Information
| ChEMBL ID | CHEMBL5994564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSMBDRWDECFDNR-NRFANRHFSA-N |
7
Targets
14
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
5.01
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.38
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 9.04 | 9.04 | 0.9 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.85 | 8.85 | 1.4 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.54 | 7.54 | 28.5 | 2 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.91 | 6.91 | 124.0 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.79 | 6.79 | 164.0 | 2 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 6.62 | 6.62 | 239.0 | 2 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.98 | 5.98 | 1054.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine