Compound Detail
CHEMBL4539622
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Basic Information
| ChEMBL ID | CHEMBL4539622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZDWIVVUQXSDQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
6.99
ALogP
2
HBA
1
HBD
19.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 75600.0 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 0.3055 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 14.0 | nM | 7.85 | Inhibition of rat synaptosomes 5HT transporter assessed as reduction in [3H]sero... | 31627993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31627993 | 10.1016/j.bmcl.2019.126703 | ADMET | 2 |
| 31627993 | 10.1016/j.bmcl.2019.126703 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine