Compound Detail
CHEMBL195856
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Basic Information
| ChEMBL ID | CHEMBL195856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXHLGRYCQSRFHY-SHZHJNINSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
374.3
MW (Da)
4.73
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.43 | 6.43 | 369.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 17.0 | nM | 7.77 | Inhibition of [3H]mesulergine binding to human 5-hydroxytryptamine 2C receptor | 15771415 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 38.0 | nM | 7.42 | Inhibition of [125I]R91150 binding to human 5-hydroxytryptamine 2A receptor | 15771415 |
| D(2) dopamine receptor | Ki | = | 369.0 | nM | 6.43 | Inhibition of [3H]-spiperone binding to human Dopamine receptor D2 | 15771415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771415 | 10.1021/jm049632c | D(1A) dopamine receptor | 1 |
| 15771415 | 10.1021/jm049632c | Alpha-2A adrenergic receptor | 1 |
| 15771415 | 10.1021/jm049632c | Alpha-2C adrenergic receptor | 1 |
| 15771415 | 10.1021/jm049632c | D(2) dopamine receptor | 1 |
| 15771415 | 10.1021/jm049632c | D(3) dopamine receptor | 1 |
| 15771415 | 10.1021/jm049632c | 5-hydroxytryptamine receptor 2A | 1 |
| 15771415 | 10.1021/jm049632c | 5-hydroxytryptamine receptor 7 | 1 |
| 15771415 | 10.1021/jm049632c | 5-hydroxytryptamine receptor 2C | 1 |
| 15771415 | 10.1021/jm049632c | Norepinephrine transporter | 1 |
| 15771415 | 10.1021/jm049632c | Histamine H1 receptor | 1 |
| 15771415 | 10.1021/jm049632c | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine