Compound Detail
CHEMBL3314000
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Cc1c(C(=O)N2CC3(CCS(=O)(=O)CC3)C2)cc(-c2ccc(S(=O)(=O)NC(C)(C)C)c3ccccc23)n1CC1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL3314000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCZKTFVFELUGJO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
639.9
MW (Da)
5.92
ALogP
6
HBA
1
HBD
105.5
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | EC50 | = | 16.0 | nM | 7.8 | 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 | 1 |
Data from ChEMBL 36 via Core Engine