Compound Detail
CHEMBL354544
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Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc4c(c3)OCO4)c1)c1cccc(Cl)c21
Basic Information
| ChEMBL ID | CHEMBL354544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSULXIBJDKNBQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.9
MW (Da)
5.00
ALogP
7
HBA
1
HBD
95.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | EC50 | = | 4000.0 | nM | 5.4 | In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line ... | 11958985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11958985 | 10.1016/s0960-894x(02)00051-3 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine