Compound Detail
CHEMBL5762122
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CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5c(c4)N(C(C)C)CCO5)n3)nc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5762122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJDWWOZYUHVICE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
4.31
ALogP
8
HBA
1
HBD
69.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B CHEMBL6066545 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 6.25 | 6.25 | 566.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 6 | IC50 | = | 0.1 | nM | 10.0 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 0.7 | nM | 9.15 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| CDK2/Cyclin A2 | IC50 | = | 12.0 | nM | 7.92 | Z′-LYTE Assay: CDK5 (p25): IC50 values of compounds against CDK5 (p25) were dete... | - |
| Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B | IC50 | = | 130.0 | nM | 6.89 | In Vitro Kinase Inhibition Assay: CDK1 (cyclin B): IC50 values of compounds agai... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 566.0 | nM | 6.25 | LanthaScreen Eu Kinase Binding Assay: FMS: IC50 values of compounds against FMS ... | - |
Data from ChEMBL 36 via Core Engine