Compound Detail
CHEMBL4239924
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Basic Information
| ChEMBL ID | CHEMBL4239924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUOUNUFJLXSZFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
5.62
ALogP
7
HBA
3
HBD
108.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C1s subcomponent CHEMBL3913 | Ki | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C1s subcomponent | Ki | = | 30.0 | nM | 7.52 | Inhibition of C1s (unknown origin) using Cbz-Gly-Arg-S-Bzl as substrate preincub... | 28977749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28977749 | 10.1021/acs.jmedchem.7b00882 | Complement C1s subcomponent | 1 |
Data from ChEMBL 36 via Core Engine