Compound Detail
CHEMBL161507
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Basic Information
| ChEMBL ID | CHEMBL161507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKYFNUXRYHSJTJ-XHDPSFHLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
2.89
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.6 | 6.6 | 253.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 6.54 | 6.54 | 287.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.8 | 5.8 | 1593.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.63 | 5.63 | 2328.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 253.0 | nM | 6.6 | Binding affinity was measured at cloned mammalian dopamine D3 receptor expressed... | - |
| 5-hydroxytryptamine receptor 5A | Ki | = | 287.0 | nM | 6.54 | Binding affinity was measured at cloned mammalian 5-HT1A receptor expressed in C... | - |
| D(4) dopamine receptor | Ki | = | 1593.0 | nM | 5.8 | Binding affinity was measured at cloned mammalian dopamine D4 receptor expressed... | - |
| D(2) dopamine receptor | Ki | = | 2328.0 | nM | 5.63 | Binding affinity was measured at cloned mammalian dopamine D2 receptor expressed... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80181-5 | Rattus norvegicus | 4 |
| - | 10.1016/S0960-894X(01)80181-5 | 5-hydroxytryptamine receptor 5A | 1 |
| - | 10.1016/S0960-894X(01)80181-5 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(01)80181-5 | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(01)80181-5 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine