Compound Detail
CHEMBL287319
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Basic Information
| ChEMBL ID | CHEMBL287319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDCCSYFLHRZGEA-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.86
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsinogen A CHEMBL3314 | Ki | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsinogen A | Ki | = | 7700.0 | nM | 5.11 | Inhibition of alpha-chymotrypsin | 2296008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296008 | 10.1021/jm00163a002 | Unchecked | 1 |
| 2296008 | 10.1021/jm00163a002 | Chymotrypsinogen A | 1 |
Data from ChEMBL 36 via Core Engine