Compound Detail
CHEMBL276438
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Basic Information
| ChEMBL ID | CHEMBL276438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVDRCKMNVTXDHD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.1
MW (Da)
3.54
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C1r subcomponent CHEMBL4611 | IC50 | 5.46 | 5.145 | 3500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C1r subcomponent | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of 50% of human C1r Serine Protease by initially using Cbz-Gly-Arg-S-... | 9544206 |
| Complement C1r subcomponent | IC50 | = | 14700.0 | nM | 4.83 | 50% inhibition of human C1r serine protease after 60 mins using Cbz-Gly-Arg-S-Bz... | 9544206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544206 | 10.1021/jm970394d | Complement C1r subcomponent | 2 |
Data from ChEMBL 36 via Core Engine