Compound Detail
CHEMBL18762
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Basic Information
| ChEMBL ID | CHEMBL18762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGQKMZIPUUQGHA-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
316.2
MW (Da)
3.40
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.05 | 7.05 | 88.5 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 5.88 | 5.88 | 1320.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.71 | 5.6767 | 1930.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 88.5 | nM | 7.05 | Displacement of [125I]DOI from recombinant human 5HT2A expressed in Syrian hamst... | 28244748 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 1320.0 | nM | 5.88 | Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytrypta... | 3543362 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 1320.0 | nM | 5.88 | Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex | 3950904 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 1930.0 | nM | 5.71 | Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) rece... | 3543362 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 1930.0 | nM | 5.71 | Displacement of [3H]ketanserin from rat prefrontal cortex 5-hydroxytryptamine 2 ... | 3950904 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 2460.0 | nM | 5.61 | Binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical re... | 1542100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3950904 | 10.1021/jm00152a005 | Rattus norvegicus | 16 |
| 1542100 | 10.1021/jm00082a014 | Serotonin 2 (5-HT2) receptor | 2 |
| 3543362 | 10.1021/jm00384a001 | Serotonin 1 (5-HT1) receptor | 1 |
| 3543362 | 10.1021/jm00384a001 | Serotonin 2 (5-HT2) receptor | 1 |
| 1542100 | 10.1021/jm00082a014 | 5-hydroxytryptamine receptor 2C | 1 |
| 3950904 | 10.1021/jm00152a005 | Serotonin 1 (5-HT1) receptor | 1 |
| 3950904 | 10.1021/jm00152a005 | Serotonin 2 (5-HT2) receptor | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine