Compound Detail
CHEMBL3109654
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NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(I)n2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL3109654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMWQUYSPYISYHV-DFBGVHRSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.3
MW (Da)
1.76
ALogP
6
HBA
2
HBD
123.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement factor D CHEMBL2176771 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement factor D | IC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant human factor D expressed in Escherichia coli using Z-L... | 24900799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900799 | 10.1021/ml500037a | Complement factor D | 1 |
Data from ChEMBL 36 via Core Engine