Compound Detail
CHEMBL1094427
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O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(-c4ccccc4)cc3)ccc12
Basic Information
| ChEMBL ID | CHEMBL1094427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUCARDAJOVLPMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
8.39
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 85.0 | nM | 7.07 | Inhibition of human placental microsome CYP19 | 20413308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20413308 | 10.1016/j.bmcl.2010.03.113 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine