Compound Detail
CHEMBL6038282
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)[C@@H]4CCCN4)C5)ncc3F)cc2n1C1CC1
Basic Information
| ChEMBL ID | CHEMBL6038282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXBRBWDRQIISAT-QFIPXVFZSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
4.19
ALogP
8
HBA
2
HBD
100.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.81 | 8.81 | 1.5 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.58 | 7.58 | 26.6 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.67 | 6.67 | 212.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.63 | 6.63 | 232.0 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.25 | 6.25 | 556.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 1.53 | nM | 8.81 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 6.24 | nM | 8.21 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 26.6 | nM | 7.58 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 212.0 | nM | 6.67 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 1 | IC50 | = | 232.0 | nM | 6.63 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 7 | IC50 | = | 556.0 | nM | 6.25 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine