Compound Detail
CHEMBL2335005
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Basic Information
| ChEMBL ID | CHEMBL2335005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWMYZOKMVRXHDO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
4.08
ALogP
6
HBA
1
HBD
69.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 11000.0 | nM | 4.96 | Activity at MDR1 (unknown origin) expressed in MDCK cells using calcein AM as su... | 23374872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23374872 | 10.1016/j.bmcl.2012.12.084 | Multidrug resistance-associated protein 1 | 1 |
| 23374872 | 10.1016/j.bmcl.2012.12.084 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine