Compound Detail
CHEMBL5890939
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCC1(CCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)C1
Basic Information
| ChEMBL ID | CHEMBL5890939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQXGLAOJZLZEGK-RMGBUEETSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
725.9
MW (Da)
6.23
ALogP
9
HBA
4
HBD
162.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | IC50 | = | 0.15 | nM | 9.82 | Glycocholic acid Uptake Radiometric Assay: ISBT Hu HEK Uptake SPA 13203 IBAT HUM... | - |
| Unchecked | IC50 | = | 0.15 | nM | 9.82 | Pharmaceutical Effect Mean Inhibitory Effect: ISBT Hu HEK Uptake SPA 13203 IBAT ... | - |
Data from ChEMBL 36 via Core Engine