Compound Detail
CHEMBL5436774
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O=C1CCCCCCCCCCCNC(=O)[C@H](Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)NC(=O)/C(c2ccccc2)=C\C=C(\c2ccccc2)CN1
Basic Information
| ChEMBL ID | CHEMBL5436774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTIULUZFYLEBNA-GFDOZSDBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
758.9
MW (Da)
2.59
ALogP
11
HBA
7
HBD
208.2
PSA (Ų)
0.20
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KBv200 CHEMBL5465447 | IC50 | 6.77 | 6.77 | 169.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KBv200 | IC50 | = | 169.4 | nM | 6.77 | 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