Compound Detail
CHEMBL4242254
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O=C(O)C1=C/C(=C\c2cc(C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)cc(C(=O)O)c2O)C=CC1=O
Basic Information
| ChEMBL ID | CHEMBL4242254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUSQMLFNIONZKV-QPEQYQDCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
572.5
MW (Da)
3.61
ALogP
8
HBA
7
HBD
227.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement component C9 CHEMBL4295693 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement component C9 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of C9 binding to C5b678 in zymogen activated human serum assessed as ... | 28977749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28977749 | 10.1021/acs.jmedchem.7b00882 | Complement component C9 | 1 |
Data from ChEMBL 36 via Core Engine