Compound Detail
CHEMBL5751847
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CC(N)=NO)C5)ncc3F)cc2n1C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5751847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCELNWHYDYQJHB-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
4.08
ALogP
9
HBA
3
HBD
130.4
PSA (Ų)
0.16
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 | 2 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.64 | 8.64 | 2.3 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.57 | 7.57 | 27.0 | 2 |
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 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| 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 | = | 2.31 | nM | 8.64 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 2.31 | nM | 8.64 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 27.0 | nM | 7.57 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 27.0 | nM | 7.57 | Inhibitory Activity Assay: 1. Take 10 mM stock solution of the test compound, in... | - |
Data from ChEMBL 36 via Core Engine