Compound Detail
CHEMBL4747597
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O=C1C(c2ccc(O)cc2)=C2C(=C(c3ccc(O)cc3)C(=O)N2CCc2ccc(O)cc2)c2c1[nH]c1c(O)cccc21
Basic Information
| ChEMBL ID | CHEMBL4747597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUTFDKHHWXHZET-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
5.59
ALogP
6
HBA
5
HBD
134.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 13000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of PAX3-FOXO1 (unknown origin) stably transfected Rh4 cells co-expres... | 33151696 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of PAX3-FOXO1 (unknown origin) stably transfected Rh4 cells co-expres... | 33151696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33151696 | 10.1021/acs.jnatprod.0c01103 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine