Compound Detail
CHEMBL5968209
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
C[C@H](NC(=O)c1cc(-c2sc(-c3nnc(CC(C)(C)OC=O)o3)nc2CC2CCC2)cc(C2(C)CC2)c1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5968209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIQNTQOGMJEBFB-INIZCTEOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
590.7
MW (Da)
6.43
ALogP
8
HBA
1
HBD
107.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Kd 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | Kd | 8.25 | 8.25 | 5.6 | 1 |
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | Kd | = | 5.6 | nM | 8.25 | ThermoFluor Assay: For the RORγt construct used in the ThermoFluor assay, number... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 11.0 | nM | 7.96 | RORgammat (full-length human) Reporter Assay A: Cells used in this assay were tr... | - |
Data from ChEMBL 36 via Core Engine