Compound Detail
CHEMBL2112375
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Basic Information
| ChEMBL ID | CHEMBL2112375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVNWKMPTWJQCTA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL328681 |
| Active Moiety | CHEMBL328681 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.0
MW (Da)
4.14
ALogP
4
HBA
1
HBD
27.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.09 | 6.09 | 821.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.5 | 5.5 | 3180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 32.0 | nM | 7.5 | In vitro binding affinity at human Dopamine receptor D4.4 by [3H]YM-09151-2 disp... | 10649982 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 821.0 | nM | 6.09 | In vitro binding affinity at 5-hydroxytryptamine receptor 1A receptor in rat hip... | 10649982 |
| D(2) dopamine receptor | Ki | = | 3180.0 | nM | 5.5 | In vitro binding affinity at human Dopamine receptor D2 (long) by [3H]spiroperid... | 10649982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649982 | 10.1021/jm991138z | Adrenergic receptor alpha-1 | 2 |
| 10649982 | 10.1021/jm991138z | D(4) dopamine receptor | 1 |
| 10649982 | 10.1021/jm991138z | D(2) dopamine receptor | 1 |
| 10649982 | 10.1021/jm991138z | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine