Compound Detail
CHEMBL2179620
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(-c3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl.[Na+]
Basic Information
| ChEMBL ID | CHEMBL2179620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWXYMXTXEIPDCD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL2179646 |
| Active Moiety | CHEMBL2179646 |
0
Targets
0
Activities
0
Assay Types
11
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
6.27
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1393663.31 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1151.93 | ng.hr.mL-1 | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
| Cmax | 2000.0 | nM | Rattus norvegicus |
| Cmax | 400.0 | nM | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | 2.01 | hr | Rattus norvegicus |
| T1/2 | 3.06 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
| Vd | 21.2 | ml | Rattus norvegicus |
| Vd | 96.2 | 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