Compound Detail
CHEMBL93496
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Basic Information
| ChEMBL ID | CHEMBL93496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBYIRYDJOVXGAL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
3.58
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.04
IC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 6.04 | 6.04 | 907.0 | 1 |
| CCRF-CEM/VCR-1000 CHEMBL614540 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 907.0 | nM | 6.04 | Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin... | 17352460 |
| CCRF-CEM/VCR-1000 | IC50 | = | 910.0 | nM | 6.04 | In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-C... | 14584949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629817 | 10.1021/jm00014a031 | CCRF-CEM | 4 |
| 14584949 | 10.1021/jm030876r | No relevant target | 2 |
| 8941391 | 10.1021/jm960384x | CCRF-CEM | 2 |
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
| 14584949 | 10.1021/jm030876r | CCRF-CEM/VCR-1000 | 1 |
| 8941391 | 10.1021/jm960384x | No relevant target | 1 |
| 17352460 | 10.1021/jm060604z | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine