Compound Detail
CHEMBL440191
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL440191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZWWLKPTHNPSQB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
6.10
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 8.18 | 8.18 | 6.7 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.71 | 7.71 | 19.6 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 6.33 | 6.33 | 472.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 6.68 | nM | 8.18 | Inhibition of [3H]- DA (Dopamine) uptake in rat striatal synaptosomes | 11806716 |
| Sodium-dependent dopamine transporter | IC50 | = | 19.6 | nM | 7.71 | Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT) | 11806716 |
| Norepinephrine transporter | IC50 | = | 472.0 | nM | 6.33 | Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter | 11806716 |
| Sodium-dependent serotonin transporter | IC50 | = | 1080.0 | nM | 5.97 | Inhibition of [3H]- citalopram binding to Serotonin transporter | 11806716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11806716 | 10.1021/jm010316x | Sodium-dependent dopamine transporter | 1 |
| 11806716 | 10.1021/jm010316x | Sodium-dependent serotonin transporter | 1 |
| 11806716 | 10.1021/jm010316x | Norepinephrine transporter | 1 |
| 11806716 | 10.1021/jm010316x | Rattus norvegicus | 1 |
| 11806716 | 10.1021/jm010316x | Monoamine transporters; serotonin & dopamine | 1 |
| 11806716 | 10.1021/jm010316x | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 11806716 | 10.1021/jm010316x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine