Compound Detail
CHEMBL83625
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 | CHEMBL83625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBONTYVGVUFBBF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
3.83
ALogP
6
HBA
0
HBD
52.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 10.68 | 9.885 | 0.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 9.42 | 9.27 | 0.4 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.8 | 8.4 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 0.021 | nM | 10.68 | In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A re... | 7914539 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 0.38 | nM | 9.42 | In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 2 rec... | 7914539 |
| Serotonin 2 (5-HT2) receptor | IC50 | = | 0.76 | nM | 9.12 | In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 2 rec... | 7914539 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 0.82 | nM | 9.09 | In vitro binding affinity was measured on serotonergic 5-hydroxytryptamine 1A re... | 7914539 |
| D(2) dopamine receptor | IC50 | = | 1.6 | nM | 8.8 | In vitro binding affinity was measured by displacement of [3H]- raclopride from ... | 7914539 |
| D(2) dopamine receptor | IC50 | = | 10.0 | nM | 8.0 | In vitro binding affinity was measured by displacement of [3H]- raclopride from ... | 7914539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7914539 | 10.1021/jm00042a008 | D(2) dopamine receptor | 2 |
| 7914539 | 10.1021/jm00042a008 | 5-hydroxytryptamine receptor 1A | 2 |
| 7914539 | 10.1021/jm00042a008 | Serotonin 2 (5-HT2) receptor | 2 |
| 7914539 | 10.1021/jm00042a008 | Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor | 2 |
| 7914539 | 10.1021/jm00042a008 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine