Compound Detail
CHEMBL3342680
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Basic Information
| ChEMBL ID | CHEMBL3342680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIMNRNLYGLYHJF-INIZCTEOSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
1.70
ALogP
6
HBA
5
HBD
167.2
PSA (Ų)
0.18
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor CHEMBL4761 | IC50 | 7.92 | 6.9275 | 12.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 12.0 | nM | 7.92 | Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method | 25259874 |
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 12.59 | nM | 7.9 | Displacement of [125I]-C3a from C3AR in HMDMs by scintillation counting method | 25259874 |
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced ... | 25259874 |
| C3a anaphylatoxin chemotactic receptor | IC50 | = | 1300.0 | nM | 5.89 | Antagonist activity against C3AR in HMDMs assessed as inhibition of C3a-induced ... | 25259874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25259874 | 10.1021/jm500956p | C3a anaphylatoxin chemotactic receptor | 4 |
Data from ChEMBL 36 via Core Engine