Compound Detail
CHEMBL3936095
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Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N)c4)cn3n2)c1N1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL3936095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNVQKYKIICEPGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
2.58
ALogP
10
HBA
3
HBD
131.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform epsilon | IC50 | = | 2.4 | nM | 8.62 | Kinase Assay: The kinase assay was performed in V-bottom 384-well plates. The fi... | - |
| Casein kinase I isoform delta | IC50 | = | 2.5 | nM | 8.6 | Kinase Assay: The kinase assay was performed in V-bottom 384-well plates. The fi... | - |
Data from ChEMBL 36 via Core Engine