Compound Detail
CHEMBL81789
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COc1cc(OC)c2nc3c(C(=O)Nc4ccc(CCN(C)Cc5ccc(OC)c(OC)c5)cc4)cccc3c(O)c2c1
Basic Information
| ChEMBL ID | CHEMBL81789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRMRHQJNNWQMNF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
581.7
MW (Da)
6.05
ALogP
8
HBA
2
HBD
102.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHRC5 cell line CHEMBL614457 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHRC5 cell line | EC50 | = | 22.0 | nM | 7.66 | Reversal of sensitivity of multidrug resistant chinese hamster ovary cell line C... | 7608906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7608906 | 10.1021/jm00013a017 | CHRC5 cell line | 1 |
Data from ChEMBL 36 via Core Engine