Compound Detail
CHEMBL89037
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Basic Information
| ChEMBL ID | CHEMBL89037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMFWWORRYDWEDS-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
3.67
ALogP
4
HBA
3
HBD
49.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.68 | 9.015 | 0.2 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.95 | 7.95 | 11.2 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.91 | 7.91 | 12.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.21 | nM | 9.68 | Inhibition of [3H]quinpirole binding to rat striatal membrane Dopamine receptor ... | 10498215 |
| D(2) dopamine receptor | Ki | = | 4.5 | nM | 8.35 | Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D... | 10498215 |
| D(2) dopamine receptor | Ki | = | 6.5 | nM | 8.19 | Inhibition of [3H]spiperone binding to human Dopamine receptor D2 in CHO cell me... | 10498215 |
| D(4) dopamine receptor | Ki | = | 11.2 | nM | 7.95 | Inhibition of [3H]spiperone binding to human Dopamine receptor D4.4 expressed in... | 10498215 |
| D(3) dopamine receptor | Ki | = | 12.2 | nM | 7.91 | Inhibition of [3H]spiperone binding to human Dopamine receptor D3 in CHO cell me... | 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 | D(3) dopamine receptor | 1 |
| 10498215 | 10.1016/s0960-894x(99)00434-5 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine