Compound Detail
CHEMBL3314004
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N#Cc1cccc(S(=O)(=O)N2C[C@H](CO)Oc3ccc(NC(=O)c4c(F)cccc4Cl)cc32)c1
Basic Information
| ChEMBL ID | CHEMBL3314004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCQFZBHIZZBEBK-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.9
MW (Da)
3.55
ALogP
6
HBA
2
HBD
119.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | IC50 | = | 15000.0 | nM | 4.82 | Agonist activity at RoRc-LBD (unknown origin) expressed in HEK293 cells assessed... | 24502334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24502334 | 10.1021/jm401901d | Nuclear receptor ROR-gamma | 2 |
Data from ChEMBL 36 via Core Engine