Compound Detail
CHEMBL5976683
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Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)NCCN(C)C)C5)ncc3F)cc2n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL5976683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SALMKXDVOXFTFG-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
4.43
ALogP
8
HBA
2
HBD
104.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.55 | 8.55 | 2.8 | 2 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.49 | 8.49 | 3.2 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.27 | 7.27 | 54.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 6 | IC50 | = | 2.82 | nM | 8.55 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.82 | nM | 8.55 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 3.21 | nM | 8.49 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 3.21 | nM | 8.49 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 54.1 | nM | 7.27 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 54.1 | nM | 7.27 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine