Compound Detail
CHEMBL5772567
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CCOP(=O)(CCN(C)CCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)(C)C)c5c4)n3)ccc2C1)OCC
Basic Information
| ChEMBL ID | CHEMBL5772567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWZRGPIFBNJODY-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
670.8
MW (Da)
6.53
ALogP
11
HBA
1
HBD
110.5
PSA (Ų)
0.16
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.72 | 8.72 | 1.9 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.69 | 8.69 | 2.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.23 | 7.23 | 59.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 1.91 | nM | 8.72 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 1.91 | nM | 8.72 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.03 | nM | 8.69 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.03 | nM | 8.69 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 59.3 | nM | 7.23 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 59.3 | nM | 7.23 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine