Compound Detail
CHEMBL5412603
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5412603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQPGBLKLHSFFGE-KPKJPENVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
3.84
ALogP
5
HBA
1
HBD
77.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780/Taxol CHEMBL4483224 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780/Taxol | IC50 | = | 29.0 | nM | 7.54 | Reversal of multi-drug resistance in human A2780/Taxol cells incubated for 48 hr... | 36871374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36871374 | 10.1016/j.ejmech.2023.115218 | A2780/Taxol | 3 |
| 36871374 | 10.1016/j.ejmech.2023.115218 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 36871374 | 10.1016/j.ejmech.2023.115218 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine