Compound Detail
CHEMBL5282725
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Basic Information
| ChEMBL ID | CHEMBL5282725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJQQAHIHQKVQCK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
4.21
ALogP
7
HBA
0
HBD
66.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ECa-109 cell line CHEMBL614668 | IC50 | 7.51 | 7.51 | 31.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ECa-109 cell line | IC50 | = | 31.1 | nM | 7.51 | Reversal of VCR -resistance in human Eca-109 cells assessed as vincristine IC50 ... | 36892076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36892076 | 10.1021/acs.jmedchem.2c02061 | ECa-109 cell line | 3 |
Data from ChEMBL 36 via Core Engine