Compound Detail
CHEMBL500095
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Basic Information
| ChEMBL ID | CHEMBL500095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJOXYPNQASUCHB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
0.85
ALogP
4
HBA
0
HBD
76.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Multidrug resistance-associated protein 1 CHEMBL3004 | EC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Multidrug resistance-associated protein 1 | EC50 | = | 85000.0 | nM | 4.07 | Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation b... | 20684594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19761212 | 10.1021/jm901021k | Unchecked | 3 |
| 18706821 | 10.1016/j.bmc.2008.07.077 | Trypanosoma cruzi | 1 |
| 19761212 | 10.1021/jm901021k | No relevant target | 1 |
| 20684594 | 10.1021/jm100066y | ATP-dependent translocase ABCB1 | 1 |
| 20684594 | 10.1021/jm100066y | Multidrug resistance-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine