Compound Detail
CHEMBL5597797
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Basic Information
| ChEMBL ID | CHEMBL5597797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNZSXRUSOMIKCQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
2.97
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| ECa-109 cell line CHEMBL614668 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 780.0 | nM | 6.11 | Inhibition of FTO (unknown origin) | 38805939 |
| ECa-109 cell line | IC50 | = | 830.0 | nM | 6.08 | Antiproliferative activity against human EC109 cells assessed as reduction in ce... | 38805939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38805939 | 10.1016/j.ejmech.2024.116526 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
| 38805939 | 10.1016/j.ejmech.2024.116526 | ECa-109 cell line | 1 |
Data from ChEMBL 36 via Core Engine