Compound Detail
CHEMBL2011418
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Basic Information
| ChEMBL ID | CHEMBL2011418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNLBHJBMLWFWSC-BDXSIMOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
3.52
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steryl-sulfatase CHEMBL3559 | IC50 | 6.7 | 6.7 | 199.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steryl-sulfatase | IC50 | = | 199.0 | nM | 6.7 | Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as s... | 22455789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22455789 | 10.1016/j.bmc.2012.03.007 | Steryl-sulfatase | 2 |
Data from ChEMBL 36 via Core Engine