Compound Detail
CHEMBL2204171
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Basic Information
| ChEMBL ID | CHEMBL2204171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEHOGKFYVZZEII-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
6.16
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3390.0 | nM | 5.47 | Inhibition of complement system in human fetal serum assessed as inhibition of h... | 24900471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900471 | 10.1021/ml300005w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine