Compound Detail
CHEMBL2179623
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
O=C([O-])c1cc(-c2cccc(COc3ccc4c(=O)n(C5CC5)sc4c3)c2)ccc1Cl.[Na+]
Basic Information
| ChEMBL ID | CHEMBL2179623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMTYPMDLLPIESN-UHFFFAOYSA-M |
| Parent Compound | CHEMBL2179629 |
| Active Moiety | CHEMBL2179629 |
0
Targets
0
Activities
0
Assay Types
11
PK Parameters
5
Publications
0
Known Names
Molecular Properties
451.9
MW (Da)
6.00
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 11669587.32 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 27793695.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
| Cmax | 9600.0 | nM | Rattus norvegicus |
| Cmax | 8500.0 | nM | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | 11.2 | hr | Rattus norvegicus |
| T1/2 | 8.6 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
| Vd | 2.4 | ml | Rattus norvegicus |
| Vd | 4.1 | ml | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23009245 | 10.1021/jm3005306 | Rattus norvegicus | 11 |
| 23009245 | 10.1021/jm3005306 | Nucleic Acid | 1 |
| 23009245 | 10.1021/jm3005306 | Plasma | 1 |
| 23009245 | 10.1021/jm3005306 | Brain | 1 |
| 23009245 | 10.1021/jm3005306 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine