Compound Detail
CHEMBL100191
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Basic Information
| ChEMBL ID | CHEMBL100191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIJHWDLCXYFXRM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
4.44
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 500.0 | nM | 6.3 | Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes | 1976813 |
| Norepinephrine transporter | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosome... | 1976813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1976813 | 10.1021/jm00172a035 | Norepinephrine transporter | 1 |
| 1976813 | 10.1021/jm00172a035 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine