Compound Detail
CHEMBL5430656
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CC(C)[C@H](NC(=O)/C(=C/C=C(/CNC(=O)CCCCCCCCCCCN)c1ccccc1)c1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5430656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVCDAITYRGSQSZ-KUKMVXRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.8
MW (Da)
6.35
ALogP
4
HBA
4
HBD
121.5
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KBv200 CHEMBL5465447 | IC50 | 6.7 | 6.7 | 199.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KBv200 | IC50 | = | 199.0 | nM | 6.7 | 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