Compound Detail
CHEMBL5800538
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(C(=O)O)C5)ncc3F)cc2n1C(C)C
Basic Information
| ChEMBL ID | CHEMBL5800538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVZZSEVVEDNIOM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
4.84
ALogP
7
HBA
2
HBD
109.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.13 | 8.13 | 7.3 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 7.65 | 7.65 | 22.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 4.49 | nM | 8.35 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 7.34 | nM | 8.13 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 22.3 | nM | 7.65 | LANCE Ultra ULight Assay: 1. Take 10 mM stock solution of the test compound, in ... | - |
Data from ChEMBL 36 via Core Engine