Compound Detail
CHEMBL5398492
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Basic Information
| ChEMBL ID | CHEMBL5398492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUCRPFJLSQLXRO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
3.45
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Kd 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | Kd | 6.45 | 6.45 | 354.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.51 | 5.51 | 3090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4immunitygroup A member 1 | Kd | = | 354.0 | nM | 6.45 | Binding affinity to His-tagged Nur77 ligand binding domain (unknown origin) by s... | 37983615 |
| MDA-MB-231 | IC50 | = | 3090.0 | nM | 5.51 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 37983615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37983615 | 10.1021/acs.jmedchem.3c01336 | Nuclear receptor subfamily 4immunitygroup A member 1 | 2 |
| 37983615 | 10.1021/acs.jmedchem.3c01336 | T47D | 1 |
| 37983615 | 10.1021/acs.jmedchem.3c01336 | MDA-MB-231 | 1 |
| 37983615 | 10.1021/acs.jmedchem.3c01336 | MCF-10A | 1 |
Data from ChEMBL 36 via Core Engine