Compound Detail
CHEMBL1765139
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COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(Cl)c4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL1765139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRVSNTXJIBLXRS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
598.1
MW (Da)
6.21
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of human Pgp overexpressed in human MDCK2-MDR1 cells assessed as inhi... | 21419632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21419632 | 10.1016/j.bmc.2011.02.039 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine