Compound Detail
CHEMBL239917
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 | CHEMBL239917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEVXOGLKVVRZCX-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.9
MW (Da)
3.83
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.4 | 10.4 | 0.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.7 | 6.7 | 202.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.43 | 6.095 | 375.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.92 | 5.92 | 1204.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.04 | nM | 10.4 | Displacement of [3H]spiperone from human Dopamine D4.4 receptor expressed in CHO... | 17576067 |
| D(1B) dopamine receptor | Ki | = | 202.0 | nM | 6.7 | Displacement of [3H]SCH 23390 from human Dopamine D5 receptor expressed in HEK29... | 17576067 |
| D(2) dopamine receptor | Ki | = | 375.0 | nM | 6.43 | Antagonist activity at human Dopamine receptor D2 isoform long expressed in HEK2... | 17576067 |
| D(3) dopamine receptor | Ki | = | 1204.0 | nM | 5.92 | Displacement of [3H]spiperone from human Dopamine D3 receptor expressed in CHO c... | 17576067 |
| D(2) dopamine receptor | Ki | = | 1747.0 | nM | 5.76 | Displacement of [3H]Spiperone from human Dopamine receptor D2 isoform long expre... | 17576067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17576067 | 10.1016/j.bmc.2007.06.002 | Unchecked | 5 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(2) dopamine receptor | 4 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(1B) dopamine receptor | 4 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(3) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine