Compound Detail
CHEMBL354935
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COc1cc(NC(=O)Cc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL354935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFFLOQYYORWGFF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
519.9
MW (Da)
5.00
ALogP
8
HBA
2
HBD
115.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | EC50 | 6.72 | 6.155 | 190.0 | 2 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | EC50 | = | 190.0 | nM | 6.72 | Compound was evaluated in vivo for its inhibitory activity against MRP1-transfec... | 11958985 |
| ATP-dependent translocase ABCB1 | EC50 | = | 1300.0 | nM | 5.89 | In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line ... | 11958985 |
| Mus musculus | EC50 | = | 2580.0 | nM | 5.59 | Compound was evaluated in vivo for its inhibitory activity against MRP1-transfec... | 11958985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11958985 | 10.1016/s0960-894x(02)00051-3 | Mus musculus | 2 |
| 11958985 | 10.1016/s0960-894x(02)00051-3 | ATP-dependent translocase ABCB1 | 1 |
| 11958985 | 10.1016/s0960-894x(02)00051-3 | HeLa | 1 |
| 11958985 | 10.1016/s0960-894x(02)00051-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine