Compound Detail
CHEMBL5787921
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CN[C@H](C)C(=O)N1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C6CC6)c5c4)n3)ccc2C1
Basic Information
| ChEMBL ID | CHEMBL5787921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMCGYDRAUVMLBE-CQSZACIVSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
4.05
ALogP
8
HBA
2
HBD
100.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.97 | 8.97 | 1.1 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.2 | 8.2 | 6.4 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.18 | 6.18 | 661.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 1.06 | nM | 8.97 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 1.06 | nM | 8.97 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 6.36 | nM | 8.2 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 6.36 | nM | 8.2 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 661.0 | nM | 6.18 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 661.0 | nM | 6.18 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine