Compound Detail
CHEMBL87192
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Basic Information
| ChEMBL ID | CHEMBL87192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKHJHBMOHZNYEP-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
3.75
ALogP
3
HBA
2
HBD
49.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.74 | 9.23 | 0.2 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.94 | 8.94 | 1.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.76 | 8.76 | 1.8 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.18 | nM | 9.74 | Inhibition of [3H]quinpirole binding to rat striatal membrane Dopamine receptor ... | 10498215 |
| D(3) dopamine receptor | Ki | = | 1.15 | nM | 8.94 | Inhibition of [3H]spiperone binding to human Dopamine receptor D3 in CHO cell me... | 10498215 |
| D(2) dopamine receptor | Ki | = | 1.75 | nM | 8.76 | Inhibition of [3H]spiperone binding to human Dopamine receptor D2 in CHO cell me... | 10498215 |
| D(2) dopamine receptor | Ki | = | 1.9 | nM | 8.72 | Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D... | 10498215 |
| D(4) dopamine receptor | Ki | = | 3.1 | nM | 8.51 | Inhibition of [3H]spiperone binding to human Dopamine receptor D4.4 expressed in... | 10498215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498215 | 10.1016/s0960-894x(99)00434-5 | D(2) dopamine receptor | 4 |
| 10498215 | 10.1016/s0960-894x(99)00434-5 | Mus musculus | 3 |
| 10498215 | 10.1016/s0960-894x(99)00434-5 | D(3) dopamine receptor | 1 |
| 10498215 | 10.1016/s0960-894x(99)00434-5 | D(4) dopamine receptor | 1 |
| 29400967 | 10.1021/acs.jmedchem.7b01788 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine