Compound Detail
CHEMBL4557856
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Basic Information
| ChEMBL ID | CHEMBL4557856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSESBSPSYYLYMN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
3.68
ALogP
4
HBA
1
HBD
42.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfotransferase 1A1 CHEMBL1743291 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfotransferase 1A1 | Ki | = | 24.0 | nM | 7.62 | Inhibition of SULT1A1 (unknown origin) expressed in baculovirus infected Sf9 cel... | - |
Data from ChEMBL 36 via Core Engine