Compound Detail
CHEMBL228900
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Basic Information
| ChEMBL ID | CHEMBL228900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVISQVQWPLFQDL-HXUWFJFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
1.82
ALogP
4
HBA
5
HBD
134.8
PSA (Ų)
0.22
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor CHEMBL4761 | IC50 | 4.3 | 4.3 | 50118.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 50118.72 | nM | 4.3 | Inhibition of human C3a receptor expressed on HMC1 cells by SPA assay | 17467987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17467987 | 10.1016/j.bmcl.2007.04.022 | C3a anaphylatoxin chemotactic receptor | 1 |
Data from ChEMBL 36 via Core Engine