Compound Detail
CHEMBL5401184
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CC(C)[C@@H]1NC(=O)/C(c2ccccc2)=C\C=C(\c2ccc(F)cc2)CNC(=O)CCCCCCCCCCCNC1=O
Basic Information
| ChEMBL ID | CHEMBL5401184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMFSXFXZNAWPGI-DUXZEDSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.8
MW (Da)
6.58
ALogP
3
HBA
3
HBD
87.3
PSA (Ų)
0.39
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KBv200 CHEMBL5465447 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KBv200 | IC50 | = | 0.42 | nM | 9.38 | Reversal of vinorelbine resistance in human KBv200 cells assessed as reduction i... | 36728755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36728755 | 10.1021/acs.jmedchem.2c01424 | KBv200 | 2 |
Data from ChEMBL 36 via Core Engine