Compound Detail
CHEMBL2204196
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Basic Information
| ChEMBL ID | CHEMBL2204196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGILLUBNDPLABH-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
5.39
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Complement C5 CHEMBL2364163 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13.0 | nM | 7.89 | Inhibition of complement system in human fetal serum assessed as inhibition of h... | 24900471 |
| Complement C5 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of C5 complement protein in 2% human serum incubated for 15 mins | 32482069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900471 | 10.1021/ml300005w | Unchecked | 5 |
| 24900471 | 10.1021/ml300005w | Molecular identity unknown | 4 |
| 24900471 | 10.1021/ml300005w | NON-PROTEIN TARGET | 4 |
| 32482069 | 10.1021/acs.jmedchem.9b01033 | Complement C5 | 1 |
| 32482069 | 10.1021/acs.jmedchem.9b01033 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine