Compound Detail
CHEMBL2181270
ROTENONIC ACID, METHYL ETHER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2181270 |
| Name | ROTENONIC ACID, METHYL ETHER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QADCCYSYLNTZHV-YADHBBJMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.34
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5200.0 | nM | 5.28 | Cytotoxicity against human H1299 cells after 3 days by MTS assay | 23186287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23186287 | 10.1021/jm301488q | NON-PROTEIN TARGET | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
Data from ChEMBL 36 via Core Engine