Compound Detail
CHEMBL387115
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Basic Information
| ChEMBL ID | CHEMBL387115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNAUEAGSVLKUBO-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.7
MW (Da)
3.45
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.0
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | EC50 | 5.0 | 5.0 | 9960.0 | 1 |
| NCI-H2171 CHEMBL2366213 | EC50 | 4.12 | 4.12 | 76300.0 | 1 |
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 4.09 | 4.09 | 81500.0 | 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 | = | 9960.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Fluorescence Polarization Dose Response Assay for TR3-Based Bc... | - |
| NCI-H2171 | EC50 | = | 76300.0 | nM | 4.12 | Cytotoxic activity against human NCI-H2171 cells assessed as reduction in cell v... | - |
| Myc proto-oncogene protein | IC50 | = | 81500.0 | nM | 4.09 | Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16913712 | 10.1021/jm0605132 | Lethal factor | 1 |
Data from ChEMBL 36 via Core Engine