Compound Detail
CHEMBL101030
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Basic Information
| ChEMBL ID | CHEMBL101030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYGJKZKLNWLLRD-AGIUHOORSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
216.3
MW (Da)
2.57
ALogP
2
HBA
0
HBD
26.3
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 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Prothrombin CHEMBL204 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | IC50 | = | 0.6 | nM | 9.22 | Inhibition of trypsin | 9873654 |
| Prothrombin | IC50 | = | 73.0 | nM | 7.14 | Inhibition of thrombin | 9873654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873654 | 10.1016/s0960-894x(98)00531-9 | Prothrombin | 1 |
| 9873654 | 10.1016/s0960-894x(98)00531-9 | Serine protease 1 | 1 |
| 9873654 | 10.1016/s0960-894x(98)00531-9 | Chymotrypsin-C | 1 |
Data from ChEMBL 36 via Core Engine