Compound Detail
CHEMBL19375
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Basic Information
| ChEMBL ID | CHEMBL19375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYAJNJRPRCIANT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
308.5
MW (Da)
3.83
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Ki 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| C-C chemokine receptor type 3 CHEMBL3473 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 240.0 | nM | 6.62 | Binding affinity against 5-hydroxytryptamine 2A receptor | 7707322 |
| C-C chemokine receptor type 3 | IC50 | = | 8400.0 | nM | 5.08 | 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 3 | 1 |
| 12166951 | 10.1021/jm0201767 | C-C chemokine receptor type 1 | 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 |
Data from ChEMBL 36 via Core Engine