Compound Detail
CHEMBL4592883
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Basic Information
| ChEMBL ID | CHEMBL4592883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXSUZWFRISMMDR-SFHVURJKSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.5
MW (Da)
4.14
ALogP
4
HBA
5
HBD
128.3
PSA (Ų)
0.15
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
EC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor CHEMBL4761 | IC50 | 6.3 | 6.295 | 501.2 | 2 |
| C3a anaphylatoxin chemotactic receptor CHEMBL4761 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 501.19 | nM | 6.3 | Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of... | 31910011 |
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 510.0 | nM | 6.29 | Antagonist activity at C3a receptor in human MDM cells assessed as inhibition of... | 31910011 |
| C3a anaphylatoxin chemotactic receptor | EC50 | = | 100000.0 | nM | 4.0 | Agonist activity at C3a receptor in human MDM cells assessed as induction of int... | 31910011 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31910011 | 10.1021/acs.jmedchem.9b00927 | C3a anaphylatoxin chemotactic receptor | 5 |
Data from ChEMBL 36 via Core Engine