Compound Detail
CHEMBL505875
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Basic Information
| ChEMBL ID | CHEMBL505875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REGPOQDITWHACV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
245.3
MW (Da)
2.59
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.81
EC50 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.23 | 4.23 | 59140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... | - |
| Human immunodeficiency virus 1 | EC50 | = | 59140.0 | nM | 4.23 | Antiviral activity against HIV1 3B in human MT2 cells assessed as inhibition of ... | 19053778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053778 | 10.1021/jm800869t | Unchecked | 2 |
| 19053778 | 10.1021/jm800869t | Human immunodeficiency virus 1 | 1 |
| 19053778 | 10.1021/jm800869t | MT2 | 1 |
Data from ChEMBL 36 via Core Engine