Compound Detail
CHEMBL103983
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Basic Information
| ChEMBL ID | CHEMBL103983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAJNHJMBQCJVMY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
4.89
ALogP
4
HBA
3
HBD
75.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.94 | 7.94 | 11.4 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2095200 | Ki | 7.56 | 7.56 | 27.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| Opioid receptor CHEMBL2094129 | Ki | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in ... | 1323682 |
| Adrenergic receptor alpha-1 | Ki | = | 11.4 | nM | 7.94 | Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using ... | 1323682 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 27.6 | nM | 7.56 | Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell me... | 1323682 |
| D(2) dopamine receptor | Ki | = | 41.0 | nM | 7.39 | Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in... | 1323682 |
| Opioid receptor | Ki | = | 530.0 | nM | 6.28 | Compound was evaluated for the binding affinity towards opioid receptor from rat... | 1323682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1323682 | 10.1021/jm00094a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 1323682 | 10.1021/jm00094a021 | D(2) dopamine receptor | 1 |
| 1323682 | 10.1021/jm00094a021 | Serotonin 2 (5-HT2) receptor | 1 |
| 1323682 | 10.1021/jm00094a021 | Adrenergic receptor alpha-1 | 1 |
| 1323682 | 10.1021/jm00094a021 | Opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine