Compound Detail
CHEMBL189147
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Basic Information
| ChEMBL ID | CHEMBL189147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWIOADNIUSVZGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.9
MW (Da)
5.62
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.97 | 5.97 | 1076.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1950.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 3.3 | nM | 8.48 | Inhibition of human melanin concentrating hormone receptor 1 | 16033253 |
| Sodium-dependent serotonin transporter | Ki | = | 1076.0 | nM | 5.97 | Inhibition of 5-hydroxytryptamine reuptake by serotonin transporter | 16033253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033253 | 10.1021/jm0503852 | Melanin-concentrating hormone receptor 1 | 2 |
| 16033253 | 10.1021/jm0503852 | ADMET | 1 |
| 16033253 | 10.1021/jm0503852 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine