Compound Detail
CHEMBL370103
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CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NCC(=O)NCC(=O)O)c2)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL370103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZTQTVJIFYEYDX-FQLXRVMXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
573.8
MW (Da)
4.01
ALogP
7
HBA
4
HBD
136.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ileal sodium/bile acid cotransporter CHEMBL2778 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ileal sodium/bile acid cotransporter | IC50 | = | 0.3 | nM | 9.52 | In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby ... | 16134951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134951 | 10.1021/jm0402162 | Ileal sodium/bile acid cotransporter | 1 |
Data from ChEMBL 36 via Core Engine