Compound Detail
CHEMBL1332168
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Basic Information
| ChEMBL ID | CHEMBL1332168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLYUUANOICYAAL-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
2.79
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.21
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | EC50 | 6.21 | 6.21 | 620.0 | 1 |
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
| NCI-H2171 CHEMBL2366213 | EC50 | 4.01 | 4.01 | 96900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 | EC50 | = | 620.0 | nM | 6.21 | PUBCHEM_BIOASSAY: Fluorescence Polarization Dose Response Assay for TR3-Based Bc... | - |
| Myc proto-oncogene protein | IC50 | = | 24200.0 | nM | 4.62 | Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... | - |
| NCI-H2171 | EC50 | = | 96900.0 | nM | 4.01 | Cytotoxic activity against human NCI-H2171 cells assessed as reduction in cell v... | - |
Data from ChEMBL 36 via Core Engine