Compound Detail
CHEMBL379637
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Basic Information
| ChEMBL ID | CHEMBL379637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPBCKKVERDTCEL-LURJTMIESA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.1
MW (Da)
2.06
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.75
Ki 2 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | EC50 | 7.75 | 6.5433 | 18.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.26 | nM | 9.59 | Displacement of (+/-)-[125I]DOI from rat cloned 5HT2A receptor | 16970404 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.35 | nM | 9.46 | Displacement of (+/-)-[125I]DOI from human cloned 5HT2A receptor | 16970404 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 18.0 | nM | 7.75 | Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation... | 16970404 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 1120.0 | nM | 5.95 | Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation... | 16970404 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 1180.0 | nM | 5.93 | Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation... | 16970404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970404 | 10.1021/jm060656o | 5-hydroxytryptamine receptor 2A | 6 |
| 16970404 | 10.1021/jm060656o | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine