Compound Detail
CHEMBL44521
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL44521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYQIFUFIJFYNNL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.01
ALogP
4
HBA
3
HBD
119.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 7000.0 | nM | 5.16 | Inhibitory activity against thrombin | 9873400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873400 | 10.1016/s0960-894x(98)00269-8 | Prothrombin | 1 |
| 9873400 | 10.1016/s0960-894x(98)00269-8 | Unchecked | 1 |
| 9873400 | 10.1016/s0960-894x(98)00269-8 | ADMET | 1 |
| 9873400 | 10.1016/s0960-894x(98)00269-8 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine