Compound Detail
CHEMBL96998
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL96998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBHUNPOHYIWVNE-AWEZNQCLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
250.4
MW (Da)
2.42
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL3998 | Ki | 5.1 | 4.68 | 8000.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.01 | 5.01 | 9700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 8000.0 | nM | 5.1 | In vitro ability to displace [3H]pramipexole from high affinity binding sites of... | 11597417 |
| D(3) dopamine receptor | Ki | = | 9700.0 | nM | 5.01 | In vitro ability to displace [3H]spiperone from human cloned Dopamine receptor D... | 11597417 |
| D(3) dopamine receptor | Ki | = | 9772.37 | nM | 5.01 | Inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3... | 15801839 |
| D(2) dopamine receptor | Ki | = | 55000.0 | nM | 4.26 | In vitro ability to displace [3H]-spiperone from bovine cloned Dopamine receptor... | 11597417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597417 | 10.1016/s0960-894x(01)00564-9 | D(2) dopamine receptor | 2 |
| 11597417 | 10.1016/s0960-894x(01)00564-9 | D(1A) dopamine receptor | 1 |
| 11597417 | 10.1016/s0960-894x(01)00564-9 | D(3) dopamine receptor | 1 |
| 15801839 | 10.1021/jm049269+ | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine