Compound Detail
CHEMBL3770675
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Basic Information
| ChEMBL ID | CHEMBL3770675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QITGYTBNNYFNAP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
1.09
ALogP
5
HBA
3
HBD
117.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Na(+)/citrate cotransporter CHEMBL3769293 | IC50 | 6.5 | 6.49 | 316.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Na(+)/citrate cotransporter | IC50 | = | 316.23 | nM | 6.5 | Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibi... | 26734723 |
| Na(+)/citrate cotransporter | IC50 | = | 330.0 | nM | 6.48 | Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibi... | 26734723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26734723 | 10.1021/acs.jmedchem.5b01752 | Na(+)/citrate cotransporter | 3 |
Data from ChEMBL 36 via Core Engine