Compound Detail
CHEMBL590969
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Basic Information
| ChEMBL ID | CHEMBL590969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEOHSCLSWPDYNN-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.66
ALogP
6
HBA
4
HBD
102.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 5.58 | 5.58 | 2600.0 | 2 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
| Alpha-amylase 1A CHEMBL2478 | IC50 | 3.17 | 3.17 | 680000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of human tyrosinase using L- DOPA as substrate by MBTH based assay | 32787103 |
| Tyrosinase | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of human tyrosinase using L-DOPA as substrate incubated for 10 to 20 ... | 35717871 |
| Casein kinase II subunit alpha | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of recombinant human GST-tagged CK2alpha in presence of ATP by radiom... | 30689946 |
| Unchecked | IC50 | = | 56000.0 | nM | 4.25 | Inhibition of Escherichia coli DNA gyrase B ATPase activity | 20045642 |
| Alpha-amylase 1A | IC50 | = | 680000.0 | nM | 3.17 | Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis... | 26395057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30689946 | 10.1021/acs.jmedchem.8b01765 | Casein kinase II subunit alpha | 2 |
| 20045642 | 10.1016/j.bmcl.2009.12.060 | Unchecked | 1 |
| 26395057 | 10.1016/j.bmc.2015.09.007 | Alpha-amylase 1A | 1 |
| 32787103 | 10.1021/acs.jmedchem.0c00994 | Tyrosinase | 1 |
| 35717871 | 10.1016/j.ejmech.2022.114525 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine