Compound Detail
CHEMBL575203
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Cc1ccccc1C1CN(CCCc2cn(CCCN3CCN(c4ncccn4)CC3)nn2)CCc2cc(O)c(O)cc21
Basic Information
| ChEMBL ID | CHEMBL575203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCIVXTTWLGGWCA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
582.8
MW (Da)
3.62
ALogP
10
HBA
2
HBD
106.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.1 | 6.1 | 799.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 799.0 | nM | 6.1 | 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(2) dopamine receptor | 1 |
| 19559623 | 10.1016/j.bmc.2009.06.019 | D(1A) dopamine receptor | 1 |
| 19559623 | 10.1016/j.bmc.2009.06.019 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine