Compound Detail
CHEMBL44950
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Basic Information
| ChEMBL ID | CHEMBL44950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGFZRSBSYGIRSR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
2.70
ALogP
6
HBA
0
HBD
77.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymase CHEMBL4068 | IC50 | 9.07 | 9.07 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymase | IC50 | = | 0.85 | nM | 9.07 | Compound was evaluated for its inhibitory activity against human Serine protease... | 11425539 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425539 | 10.1016/s0960-894x(01)00264-5 | Chymase | 1 |
Data from ChEMBL 36 via Core Engine