Compound Detail
CHEMBL3145445
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Basic Information
| ChEMBL ID | CHEMBL3145445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHDMXPRISYNNQC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.8
MW (Da)
3.59
ALogP
3
HBA
2
HBD
66.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 CHEMBL3112376 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cyto... | 24461353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24461353 | 10.1016/j.bmcl.2014.01.008 | DU-145 | 4 |
| 24461353 | 10.1016/j.bmcl.2014.01.008 | Serum | 1 |
| 24461353 | 10.1016/j.bmcl.2014.01.008 | Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 | 1 |
Data from ChEMBL 36 via Core Engine