Compound Detail
CHEMBL4555437
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Cc1ccc(C)n1-c1cc(-c2nnc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3OCc3ccccc3)o2)ccc1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4555437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUABKXYAXLWMJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
677.8
MW (Da)
9.25
ALogP
8
HBA
1
HBD
108.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... | - |
Data from ChEMBL 36 via Core Engine