Compound Detail
CHEMBL3105795
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 | CHEMBL3105795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQDGCCRAQZITEN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.9
MW (Da)
4.44
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of APC-labeled RORgammat receptor ligand binding domain (unknown orig... | 24388993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24388993 | 10.1016/j.bmc.2013.12.021 | Nuclear receptor ROR-gamma | 2 |
Data from ChEMBL 36 via Core Engine