Compound Detail
CHEMBL1571037
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COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL1571037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRUKOCRGYNPUPR-UHFFFAOYSA-N |
3
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
656.7
MW (Da)
2.75
ALogP
14
HBA
3
HBD
160.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.37
IC50 5 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 7.04 | 7.04 | 91.3 | 1 |
| BJ CHEMBL614358 | EC50 | 6.37 | 5.5425 | 428.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 6.17 | 5.255 | 680.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 5.29 | 5.0567 | 5153.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine