Compound Detail
CHEMBL359190
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Basic Information
| ChEMBL ID | CHEMBL359190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYWRASYTPSAUIR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
5.62
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM/VCR-1000 CHEMBL614540 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM/VCR-1000 | IC50 | = | 1020.0 | nM | 5.99 | In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-C... | 14584949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584949 | 10.1021/jm030876r | No relevant target | 2 |
| 14584949 | 10.1021/jm030876r | CCRF-CEM/VCR-1000 | 1 |
Data from ChEMBL 36 via Core Engine