Compound Detail
CHEMBL2179624
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O=C([O-])c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl.[Na+]
Basic Information
| ChEMBL ID | CHEMBL2179624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZPUSFFRDNGTCB-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1651208 |
| Active Moiety | CHEMBL1651208 |
0
Targets
0
Activities
0
Assay Types
11
PK Parameters
5
Publications
0
Known Names
Molecular Properties
461.9
MW (Da)
6.18
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5467949.71 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 19648271.79 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.006 | ml/min | Rattus norvegicus |
| Cmax | 28200.0 | nM | Rattus norvegicus |
| Cmax | 3000.0 | nM | Rattus norvegicus |
| F | 71.4 | % | Rattus norvegicus |
| T1/2 | 1.5 | hr | Rattus norvegicus |
| T1/2 | 7.0 | hr | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
| Vd | 0.6 | ml | Rattus norvegicus |
| Vd | 3.0 | ml | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23009245 | 10.1021/jm3005306 | Rattus norvegicus | 13 |
| 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