Compound Detail
CHEMBL3663916
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Basic Information
| ChEMBL ID | CHEMBL3663916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWKWOGUGCQDBEG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
5.25
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.89 | 7.89 | 12.9 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.24 | 7.24 | 58.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 12.9 | nM | 7.89 | Binding Assay: In order to evaluate the relative affinity of the various compoun... | - |
| Sodium-dependent noradrenaline transporter | Ki | = | 58.2 | nM | 7.24 | Binding Assay: In order to evaluate the relative affinity of the various compoun... | - |
Data from ChEMBL 36 via Core Engine