Compound Detail
CHEMBL3310112
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Basic Information
| ChEMBL ID | CHEMBL3310112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCUHHNMYBGUWIR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3545440 |
| Active Moiety | CHEMBL3545440 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
1.30
ALogP
2
HBA
3
HBD
101.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 9.04 | 9.04 | 0.9 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 0.91 | nM | 9.04 | Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293-E... | 24916029 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]HT from human 5-HT7 receptor expressed in CHO cells by liqui... | 24916029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24916029 | 10.1016/j.bmc.2014.05.027 | 5-hydroxytryptamine receptor 7 | 1 |
| 24916029 | 10.1016/j.bmc.2014.05.027 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine