Compound Detail
CHEMBL49808
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Basic Information
| ChEMBL ID | CHEMBL49808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITIDAOUPMWXDRR-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
2.37
ALogP
3
HBA
4
HBD
108.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 1510.0 | nM | 5.82 | In vitro for the inhibition of thrombin | 10794688 |
| Prothrombin | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibitory concentration of compound against human thrombin | 12646027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794688 | 10.1021/jm990557t | Prothrombin | 1 |
| 12646027 | 10.1021/jm021065a | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine