Compound Detail
CHEMBL4531331
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Basic Information
| ChEMBL ID | CHEMBL4531331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCZOKCYYNCZGKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
3.42
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.27 | 4.27 | 53200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 53200.0 | nM | 4.27 | Cytotoxicity against human NCI-H460/MX20 cells assessed as inhibition of cell vi... | 31302589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31302589 | 10.1016/j.ejmech.2019.06.066 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 31302589 | 10.1016/j.ejmech.2019.06.066 | NCI-H460 | 2 |
| 31302589 | 10.1016/j.ejmech.2019.06.066 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine