Compound Detail
CHEMBL4849684
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Basic Information
| ChEMBL ID | CHEMBL4849684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXTAOMRWXAOUKD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
2.88
ALogP
10
HBA
2
HBD
109.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | IC50 | 6.38 | 6.38 | 419.0 | 1 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 6.2 | 6.2 | 632.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 158.0 | nM | 6.8 | Inhibition of serine 2 phosphorylation of Rbb1 of RNA polymerase II in human MDA... | - |
| Casein kinase I isoform delta | IC50 | = | 419.0 | nM | 6.38 | Inhibition of casein kinase 1delta (unknown origin) | - |
| Casein kinase I isoform epsilon | IC50 | = | 632.0 | nM | 6.2 | Inhibition of casein kinase 1epsilon (unknown origin) | - |
Data from ChEMBL 36 via Core Engine