Compound Detail
CHEMBL1779411
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3ccccc3)c3cc(Cl)ccc32)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL1779411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFZAVVBREFXQLX-AKWYTYQQSA-N |
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
620.1
MW (Da)
5.58
ALogP
8
HBA
0
HBD
98.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Homo sapiens |
| CL | - | - | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21605973 | 10.1016/j.bmcl.2011.03.012 | Liver microsomes | 2 |
| 21605973 | 10.1016/j.bmcl.2011.03.012 | Vasopressin V1b receptor | 1 |
Data from ChEMBL 36 via Core Engine