Compound Detail
CHEMBL79258
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
Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cc(C(=O)N(C)C)cc(C(=O)N(C)C)c2)c1F
Basic Information
| ChEMBL ID | CHEMBL79258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEYGRXSTZMMMNP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
3.94
ALogP
6
HBA
2
HBD
121.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 6.8 | 6.8 | 160.0 | 2 |
| Serine protease 1 CHEMBL3769 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 160.0 | nM | 6.8 | Inhibition of human Coagulation factor X was determined | 14667222 |
| Coagulation factor X | Ki | = | 160.0 | nM | 6.8 | Inhibitory constant against human coagulation factor Xa (fXa) | 12036356 |
| Serine protease 1 | Ki | = | 1600.0 | nM | 5.8 | Inhibitory constant against bovine trypsin for general specificity against serin... | 12036356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667222 | 10.1021/jm030288d | Coagulation factor X | 1 |
| 12036356 | 10.1021/jm0200660 | Coagulation factor X | 1 |
| 12036356 | 10.1021/jm0200660 | Prothrombin | 1 |
| 12036356 | 10.1021/jm0200660 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine