Compound Detail
CHEMBL3349339
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C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@H]2O
Basic Information
| ChEMBL ID | CHEMBL3349339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZIGLSSUDXBTLJ-SFFUCWETSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.09
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 4.3 | 4.23 | 50000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 4 | IC50 | = | 50000.0 | nM | 4.3 | TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from MRP4-ex... | 12523936 |
| ATP-binding cassette sub-family C member 4 | IC50 | = | 70000.0 | nM | 4.16 | TP_TRANSPORTER: inhibition of DHEAS in membrane vesicles from MRP4-expressing Sf... | 12523936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12523936 | 10.1042/bj20021886 | ATP-binding cassette sub-family C member 4 | 2 |
Data from ChEMBL 36 via Core Engine