Compound Detail
CHEMBL5647672
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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)[C@H](O)CCO)CC3
Basic Information
| ChEMBL ID | CHEMBL5647672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPNFFBLQEWIBQW-LVFJRYOWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.5
MW (Da)
1.37
ALogP
9
HBA
4
HBD
151.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| JeKo-1 CHEMBL4296445 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| JeKo-1 | EC50 | = | 1.4 | nM | 8.85 | Antiproliferative activity against human JeKo-1 cells assessed as reduction in c... | 38746899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38746899 | 10.1021/acsmedchemlett.4c00168 | JeKo-1 | 1 |
Data from ChEMBL 36 via Core Engine