Compound Detail
CHEMBL259898
PRASTERONE SULFURIC ACID Enter ChEMBL ID:
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C[C@]12CC[C@H](OS(=O)(=O)O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL259898 |
| Name | PRASTERONE SULFURIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZWCKYRVOZZJNM-USOAJAOKSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.71
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
EC50 1 meas.
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
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 | = | 3000.0 | nM | 5.52 | TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from MRP4-ex... | 14643890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11561088 | - | Solute carrier organic anion transporter family member 1A3 | 3 |
| 18307294 | 10.1021/jm7015864 | G-protein coupled bile acid receptor 1 | 2 |
| 10601278 | 10.1074/jbc.274.52.37161 | Solute carrier organic anion transporter family member 1A1 | 2 |
| 14610227 | 10.1124/jpet.103.060194 | Solute carrier organic anion transporter family member 2B1 | 2 |
| 11306713 | 10.1124/mol.59.5.1277 | Organic anion transporter 3 | 2 |
| 15537867 | 10.1124/mol.104.007138 | ATP-binding cassette sub-family C member 11 | 2 |
| 14643890 | 10.1016/s1357-2725(03)00236-x | ATP-binding cassette sub-family C member 4 | 2 |
| 10660625 | 10.1074/jbc.275.6.4507 | Solute carrier family 22 member 11 | 2 |
| 11087571 | 10.1021/jm0001166 | Steryl-sulfatase | 2 |
| 10601278 | 10.1074/jbc.274.52.37161 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 10358072 | 10.1074/jbc.274.24.17159 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 11159893 | 10.1053/gast.2001.21176 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 11375950 | 10.1053/gast.2001.24804 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 20190787 | 10.1038/nrd3028 | ATP-binding cassette sub-family C member 4 | 1 |
| 11159893 | 10.1053/gast.2001.21176 | Solute carrier organic anion transporter family member 2B1 | 1 |
| 20190787 | 10.1038/nrd3028 | Solute carrier organic anion transporter family member 1A2 | 1 |
| 18457386 | 10.1021/jm7015683 | ATP-binding cassette sub-family C member 2 | 1 |
| 12682043 | 10.1074/jbc.m212399200 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
| 11641421 | 10.1124/mol.60.5.934 | Unchecked | 1 |
| 12883481 | 10.1053/jhep.2003.50331 | ATP-binding cassette sub-family C member 4 | 1 |
Data from ChEMBL 36 via Core Engine