Compound Detail
CHEMBL4786464
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CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(COc2cccc3c(C(F)(F)F)cc(C)nc23)c1
Basic Information
| ChEMBL ID | CHEMBL4786464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODYMQPRHMZQICQ-FQEVSTJZSA-N |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
4.04
ALogP
5
HBA
1
HBD
88.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 50.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 766.67 | mL.min-1.kg-1 | Mus musculus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31101472 | 10.1016/j.bmcl.2019.05.015 | Nuclear receptor ROR-gamma | 4 |
| 31101472 | 10.1016/j.bmcl.2019.05.015 | ADMET | 2 |
| 31101472 | 10.1016/j.bmcl.2019.05.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine