Compound Detail
CHEMBL21940
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Basic Information
| ChEMBL ID | CHEMBL21940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCRHIOMGOHZPSX-GOSISDBHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
3.29
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.04 | 7.04 | 92.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 16.0 | nM | 7.8 | Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A rece... | - |
| D(2) dopamine receptor | Ki | = | 92.0 | nM | 7.04 | Ability to displace [3H]spiperone from D2 dopamine receptor isolated from the st... | - |
| Serotonin 2 (5-HT2) receptor | Ki | = | 3700.0 | nM | 5.43 | Ability to displace [3H]ketanserin from serotonergic 5-hydroxytryptamine 2 recep... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00197-2 | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(95)00197-2 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(95)00197-2 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine