Compound Detail
CHEMBL2220483
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Basic Information
| ChEMBL ID | CHEMBL2220483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTGQTQBPQCRNRG-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.47
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C1s subcomponent CHEMBL3913 | IC50 | 8.8 | 8.07 | 1.6 | 2 |
| Complement factor D CHEMBL2176771 | IC50 | 7.02 | 7.015 | 96.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.49 | 6.485 | 326.0 | 2 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.39 | 5.39 | 4114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C1s subcomponent | IC50 | = | 1.6 | nM | 8.8 | Inhibition of human C1s esterolytic activity using benzyloxycarbonyl-Lys-thioben... | 28977749 |
| Complement C1s subcomponent | IC50 | = | 46.0 | nM | 7.34 | Inhibition of human serum C1s-mediated lysis of rabbit Ab-sensitized sheep eryth... | 28977749 |
| Complement factor D | IC50 | = | 96.0 | nM | 7.02 | Inhibition of human factor D esterolytic activity using benzyloxycarbonyl-Lys-th... | 28977749 |
| Complement factor D | IC50 | = | 98.0 | nM | 7.01 | Binding affinity to complement factor D (unknown origin) | 27994744 |
| Unchecked | IC50 | = | 326.0 | nM | 6.49 | Inhibition of bovine trypsin esterolytic activity using Na-benzoyl-L-Arg-nitroan... | 28977749 |
| Unchecked | IC50 | = | 330.0 | nM | 6.48 | Inhibition of rat serum alternative complement system-mediated lysis of guinea p... | 28977749 |
| Histone deacetylase 6 | IC50 | = | 4114.0 | nM | 5.39 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28977749 | 10.1021/acs.jmedchem.7b00882 | Unchecked | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 3 |
| 28977749 | 10.1021/acs.jmedchem.7b00882 | Complement C1s subcomponent | 2 |
| 27994744 | 10.1021/acsmedchemlett.6b00299 | Complement factor D | 1 |
| 28977749 | 10.1021/acs.jmedchem.7b00882 | Complement factor D | 1 |
Data from ChEMBL 36 via Core Engine