Compound Detail
CHEMBL18222
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Basic Information
| ChEMBL ID | CHEMBL18222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKVJGSPOLUAUNN-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
4.18
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.54
Ki 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.46 | 6.46 | 347.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.75 | 5.75 | 1760.0 | 1 |
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 22.0 | nM | 7.66 | Binding affinity against 5-hydroxytryptamine 2A receptor | 7707322 |
| Glutamate NMDA receptor | IC50 | = | 290.0 | nM | 6.54 | N-methyl-D-aspartate glutamate receptor antagonistic activity in cell culture(CC... | 1681106 |
| Adrenergic receptor alpha-1 | IC50 | = | 347.0 | nM | 6.46 | Binding affinity against alpha-1 adrenergic receptor | 1681106 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1760.0 | nM | 5.75 | Binding affinity against 5-hydroxytryptamine 2C receptor | 7707322 |
| C-C chemokine receptor type 3 | IC50 | = | 7100.0 | nM | 5.15 | Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) e... | 12166951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166951 | 10.1021/jm0201767 | C-C chemokine receptor type 1 | 1 |
| 12166951 | 10.1021/jm0201767 | C-C chemokine receptor type 3 | 1 |
| 7707322 | 10.1021/jm00007a016 | 5-hydroxytryptamine receptor 2A | 1 |
| 7707322 | 10.1021/jm00007a016 | 5-hydroxytryptamine receptor 2C | 1 |
| 7707322 | 10.1021/jm00007a016 | Serotonin receptor 2a and 2c (5HT2A and 5HT2C) | 1 |
| 1681106 | 10.1021/jm00114a018 | Glutamate NMDA receptor | 1 |
| 1681106 | 10.1021/jm00114a018 | Adrenergic receptor alpha-1 | 1 |
| 1681106 | 10.1021/jm00114a018 | ADMET | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine