Compound Detail
CHEMBL3426422
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Basic Information
| ChEMBL ID | CHEMBL3426422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZYBKQWKXIBZDM-ZMOGYAJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
1.31
ALogP
6
HBA
2
HBD
109.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 15300.0 | nM | 4.82 | Cytotoxicity against human U937 cells assessed as cell death after 72 hrs by sul... | 25856364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25856364 | 10.1021/acs.jmedchem.5b00413 | NON-PROTEIN TARGET | 2 |
| 25856364 | 10.1021/acs.jmedchem.5b00413 | Liver microsome | 1 |
| 25856364 | 10.1021/acs.jmedchem.5b00413 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine