Compound Detail
CHEMBL163804
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Basic Information
| ChEMBL ID | CHEMBL163804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWSBQWZZLBPUQH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
1.23
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.99 | 9.96 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.102 | nM | 9.99 | Binding affinity was determined towards serotonin uptake site in presence of [3H... | 1967651 |
| Unchecked | Kd | = | 0.118 | nM | 9.93 | Binding affinity was determined towards serotonin uptake site in presence of [3H... | 1967651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1967651 | 10.1021/jm00164a037 | Rattus norvegicus | 29 |
| 1967651 | 10.1021/jm00164a037 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine