Compound Detail
CHEMBL375971
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Basic Information
| ChEMBL ID | CHEMBL375971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEQFOVLGLXCDCX-WUKNDPDISA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.87
ALogP
4
HBA
1
HBD
65.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.36
EC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H2171 CHEMBL2366213 | EC50 | 8.28 | 8.28 | 5.3 | 1 |
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 4.36 | 4.36 | 43400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H2171 | EC50 | = | 5.31 | nM | 8.28 | Cytotoxic activity against human NCI-H2171 cells assessed as reduction in cell v... | - |
| Myc proto-oncogene protein | IC50 | = | 43400.0 | nM | 4.36 | Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23122822 | 10.1016/j.bmcl.2012.10.014 | ADMET | 2 |
| 17323938 | 10.1021/jm061213n | RmtA | 1 |
| 17323938 | 10.1021/jm061213n | Protein arginine N-methyltransferase 1 | 1 |
| 37918435 | 10.1021/acs.jmedchem.3c01467 | Nuclear receptor subfamily 4 group A member 3 | 1 |
Data from ChEMBL 36 via Core Engine