Compound Detail
CHEMBL1627685
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Basic Information
| ChEMBL ID | CHEMBL1627685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFIUHMVRCIWBLC-ONUSSAAZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
3.69
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen sulfotransferase CHEMBL3811 | Ki | 4.98 | 4.98 | 10510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen sulfotransferase | Ki | = | 10510.0 | nM | 4.98 | Compound was tested for inhibition of porcine endometrial estrogen sulfotransfer... | 3457954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3457954 | 10.1021/jm00155a019 | Estrogen sulfotransferase | 1 |
Data from ChEMBL 36 via Core Engine