Compound Detail
CHEMBL4098242
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Basic Information
| ChEMBL ID | CHEMBL4098242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKWWXTKFJVEDEO-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
3.98
ALogP
7
HBA
3
HBD
87.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.58 | 2630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2630.0 | nM | 5.58 | Inhibition of full length recombinant His6-tagged PI4K3beta (unknown origin) exp... | 28122178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28122178 | 10.1021/acs.jmedchem.6b01521 | Unchecked | 3 |
| 29396363 | 10.1016/j.ejmech.2017.11.032 | rRNA adenine N-6-methyltransferase | 3 |
| 28122178 | 10.1021/acs.jmedchem.6b01521 | RD | 2 |
| 28122178 | 10.1021/acs.jmedchem.6b01521 | Enterovirus A71 | 1 |
| 29396363 | 10.1016/j.ejmech.2017.11.032 | Escherichia coli | 1 |
| 29396363 | 10.1016/j.ejmech.2017.11.032 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine