Compound Detail
CHEMBL3954123
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Basic Information
| ChEMBL ID | CHEMBL3954123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWQSSAWBTAKELO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
3.88
ALogP
6
HBA
1
HBD
77.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 14.0 | nM | 7.85 | Radioligand Binding Assay: The pharmacological profile of metopimazine, metopima... | - |
| Histamine H1 receptor | Ki | = | 140.0 | nM | 6.85 | Radioligand Binding Assay: The pharmacological profile of metopimazine, metopima... | - |
Data from ChEMBL 36 via Core Engine