Compound Detail
CHEMBL4088268
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C/C=C(\C)C[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(C)/C=C/C[C@@H](C)/C=C(\C=C\[C@H]1CC=CC(=O)O1)CC
Basic Information
| ChEMBL ID | CHEMBL4088268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZXKSXNBIHAJNK-REKJVDMUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.7
MW (Da)
7.47
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.15
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Exportin-1 CHEMBL5661 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Exportin-1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of CRM1-mediated nucleocytoplasmic transport in human HeLa cells afte... | 27996267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27996267 | 10.1021/acs.jmedchem.6b00788 | Exportin-1 | 1 |
Data from ChEMBL 36 via Core Engine