Compound Detail
CHEMBL3314015
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Basic Information
| ChEMBL ID | CHEMBL3314015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUDTVDFCGYCKCE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
5.45
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | EC50 | = | 1.0 | nM | 9.0 | Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 pro... | 24502334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24502334 | 10.1021/jm401901d | Nuclear receptor ROR-gamma | 1 |
Data from ChEMBL 36 via Core Engine