Compound Detail
CHEMBL4787560
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CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(-c4nccn4C)cc(C)nc23)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4787560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYBRWFNUYXVWGE-NRFANRHFSA-N |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
588.5
MW (Da)
4.73
ALogP
7
HBA
1
HBD
106.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 116.67 | mL.min-1.kg-1 | Homo sapiens |
| CL | 916.67 | mL.min-1.kg-1 | Mus musculus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31101472 | 10.1016/j.bmcl.2019.05.015 | ADMET | 2 |
| 31101472 | 10.1016/j.bmcl.2019.05.015 | Nuclear receptor ROR-gamma | 2 |
| 31101472 | 10.1016/j.bmcl.2019.05.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine