Compound Detail
CHEMBL5440933
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COc1ccc(/C2=C/C=C(/c3ccccc3)CNC(=O)CCCCCCCCCCCNC(=O)[C@H](C(C)C)NC2=O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL5440933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHFJECWKNSHONH-UGWIZPFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
617.8
MW (Da)
6.46
ALogP
5
HBA
3
HBD
105.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KBv200 CHEMBL5465447 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KBv200 | IC50 | = | 3.65 | nM | 8.44 | 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