Compound Detail
CHEMBL4453888
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Basic Information
| ChEMBL ID | CHEMBL4453888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKHOBXPYHSAVQH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4598359 |
| Active Moiety | CHEMBL4598359 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.1
MW (Da)
4.18
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 7.03 | 7.03 | 94.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 12 | IC50 | = | 94.0 | nM | 7.03 | Inhibition of human URAT1 expressed in HEK293 cells assessed as reduction in [8-... | 30579795 |
| Solute carrier family 22 member 12 | IC50 | = | 94.0 | nM | 7.03 | Inhibition of URAT1 (unknown origin) stably expressed in HEK293 cells assessed a... | 37908076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30579795 | 10.1016/j.bmcl.2018.12.036 | Solute carrier family 22 member 12 | 1 |
| 37908076 | 10.1021/acs.jmedchem.3c01710 | Solute carrier family 22 member 12 | 1 |
Data from ChEMBL 36 via Core Engine