Compound Detail
CHEMBL5883463
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
O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CCN(C(=O)C4CC(F)(F)C4)CC3)ccc2n1)c1ccnc(F)c1
Basic Information
| ChEMBL ID | CHEMBL5883463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNGXIUWTINXVAN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
618.6
MW (Da)
5.39
ALogP
8
HBA
1
HBD
110.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 9.94 | 9.94 | 0.1 | 1 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 9.63 | 9.63 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 0.116 | nM | 9.94 | Kinase Assay: The kinase assay was performed in V-bottom 384-well plates. The fi... | - |
| Casein kinase I isoform epsilon | IC50 | = | 0.233 | nM | 9.63 | Kinase Assay: The kinase assay was performed in V-bottom 384-well plates. The fi... | - |
Data from ChEMBL 36 via Core Engine