Compound Detail
CHEMBL6008342
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
CC[C@@H](O)C(=O)N1Cc2cc(S(=O)(=O)NC)ccc2C1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL6008342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUZGDGCLYCSHNU-QNSVNVJESA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
583.5
MW (Da)
2.70
ALogP
6
HBA
4
HBD
136.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 7.4 | 6.875 | 39.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 39.8 | nM | 7.4 | FRET Assay: The assay was run in black 384 well plates (Greiner cat no: 784900).... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 126.0 | nM | 6.9 | FRET Assay: The assay was run in black 384 well plates (Greiner cat no: 784900).... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 126.0 | nM | 6.9 | Scintillation Proximity Assay (SPA: The scintillation proximity assay (SPA) was ... | - |
| Nuclear receptor ROR-gamma | IC50 | = | 501.0 | nM | 6.3 | Scintillation Proximity Assay (SPA: The scintillation proximity assay (SPA) was ... | - |
Data from ChEMBL 36 via Core Engine