Compound Detail
CHEMBL216318
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Basic Information
| ChEMBL ID | CHEMBL216318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHOLQHOKFWITAM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL103102 |
| Active Moiety | CHEMBL103102 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
127.2
MW (Da)
0.37
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Serine protease 1 CHEMBL3769 | Ki | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 150.0 | nM | 6.82 | In vitro binding affinity by measuring the inhibition of human thrombin | 7966150 |
| Serine protease 1 | Ki | = | 360.0 | nM | 6.44 | In vitro binding affinity by measuring the inhibition of bovine trypsin | 7966150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966150 | 10.1021/jm00049a008 | Prothrombin | 1 |
| 7966150 | 10.1021/jm00049a008 | Serine protease 1 | 1 |
| 7966150 | 10.1021/jm00049a008 | Thrombin & trypsin | 1 |
Data from ChEMBL 36 via Core Engine