Compound Detail
CHEMBL2074598
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C[C@]12CC[C@@H](OS(=O)(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL2074598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMITXKRGXGRMKS-HLUDHZFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
3.79
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1A1 CHEMBL1781859 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier organic anion transporter family member 1A1 | Ki | = | 2400.0 | nM | 5.62 | TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells | 8779894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8779894 | 10.1152/ajprenal.1996.270.2.f326 | Solute carrier organic anion transporter family member 1A1 | 1 |
Data from ChEMBL 36 via Core Engine