Compound Detail
CHEMBL187142
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Basic Information
| ChEMBL ID | CHEMBL187142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVWQMPXTOQRZSX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
6.92
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 4.72 | 4.72 | 18900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of [3H]WIN-35428 binding to dopamine transporter of rat striatum | 15456254 |
| Norepinephrine transporter | IC50 | = | 12600.0 | nM | 4.9 | Inhibition of [3H]nisoxetine binding to norepinephrine transporter of rat cerebr... | 15456254 |
| Sodium-dependent serotonin transporter | IC50 | = | 18900.0 | nM | 4.72 | Inhibition of [3H]citalopram binding to serotonin transporter of rat cerebral co... | 15456254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456254 | 10.1021/jm049796t | Sodium-dependent dopamine transporter | 1 |
| 15456254 | 10.1021/jm049796t | Sodium-dependent serotonin transporter | 1 |
| 15456254 | 10.1021/jm049796t | Norepinephrine transporter | 1 |
| 15456254 | 10.1021/jm049796t | Monoamine transporters; serotonin & dopamine | 1 |
| 15456254 | 10.1021/jm049796t | Monoamine transporters; Norepininephrine & dopamine | 1 |
Data from ChEMBL 36 via Core Engine