Compound Detail
CHEMBL382618
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Basic Information
| ChEMBL ID | CHEMBL382618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFLUBEQSNNICTK-WCABBAIRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
0.86
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.41 | 6.41 | 392.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.08 | 6.08 | 835.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 39.0 | nM | 7.41 | Displacement of [3H]5HT from human recombinant 5HT2C receptor expressed in CHO c... | 16361098 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 392.0 | nM | 6.41 | Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in CHO... | 16361098 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 835.0 | nM | 6.08 | Displacement of [3H]5HT from human recombinant 5HT2B receptor expressed in CHO c... | 16361098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 2C | 2 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 2A | 1 |
| 16361098 | 10.1016/j.bmcl.2005.11.083 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine