Compound Detail
CHEMBL4641012
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4641012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXXCNYPJYOGDGN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
3.43
ALogP
4
HBA
3
HBD
86.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tet... | 32847363 |
| Androgen receptor | IC50 | = | 3600.0 | nM | 5.44 | Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell n... | 32847363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32847363 | 10.1021/acs.jmedchem.0c00939 | Androgen receptor | 2 |
| 32847363 | 10.1021/acs.jmedchem.0c00939 | Aldo-keto reductase family 1 member C3 | 1 |
Data from ChEMBL 36 via Core Engine