Compound Detail
CHEMBL585741
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
Cc1cccc(C2CN(CCCc3cn(CCCN4CCN(c5nsc6ccccc56)CC4)nn3)CCc3cc(O)c(O)cc32)c1
Basic Information
| ChEMBL ID | CHEMBL585741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQLPWXJRZDXPLZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
637.9
MW (Da)
5.44
ALogP
10
HBA
2
HBD
93.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.66 | 6.66 | 221.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.63 | 6.63 | 235.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 200.0 | nM | 6.7 | Displacement of [3H]spiperone from dopamine D2 receptor expressed in HEK293 cell... | 19559623 |
| D(1A) dopamine receptor | Ki | = | 221.0 | nM | 6.66 | Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in HEK293 cells... | 19559623 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 235.0 | nM | 6.63 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells by liqu... | 19559623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19559623 | 10.1016/j.bmc.2009.06.019 | D(1A) dopamine receptor | 1 |
| 19559623 | 10.1016/j.bmc.2009.06.019 | D(2) dopamine receptor | 1 |
| 19559623 | 10.1016/j.bmc.2009.06.019 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine