Compound Detail
CHEMBL1186488
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 | CHEMBL1186488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZZFAUDNCIFFPM-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.11
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.49
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.49 | 6.49 | 320.6 | 2 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.54 | 5.535 | 2917.4 | 2 |
| Cholinesterase CHEMBL5763 | IC50 | 4.71 | 4.71 | 19340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 320.63 | nM | 6.49 | Displacement of [3H]-raclopride from D2 receptor of Wistar rat striatal membrane... | 23886690 |
| D(2) dopamine receptor | Ki | = | 323.0 | nM | 6.49 | Displacement of [3H]-raclopride from D2 receptor of Wistar rat striatal membrane... | 23886690 |
| D(1A) dopamine receptor | Ki | = | 2917.43 | nM | 5.54 | Displacement of [3H]-SCH23390 from D1 receptor of Wistar rat striatal membranes ... | 23886690 |
| D(1A) dopamine receptor | Ki | = | 2944.0 | nM | 5.53 | Displacement of [3H]-SCH23390 from D1 receptor of Wistar rat striatal membranes ... | 23886690 |
| Cholinesterase | IC50 | = | 19340.0 | nM | 4.71 | Inhibition of equine serum BChE preincubated for 15 mins followed by addition of... | 27492195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23886690 | 10.1016/j.bmcl.2013.06.078 | D(2) dopamine receptor | 2 |
| 23886690 | 10.1016/j.bmcl.2013.06.078 | D(1A) dopamine receptor | 2 |
| 27492195 | 10.1016/j.bmc.2016.07.043 | Acetylcholinesterase | 2 |
| 27492195 | 10.1016/j.bmc.2016.07.043 | Cholinesterase | 2 |
| 23886690 | 10.1016/j.bmcl.2013.06.078 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine