Compound Detail
CHEMBL275582
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
CCOC(=O)[C@]1(C)CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL275582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEVHROPPRSPSAW-BSRMJOFQSA-N |
| Parent Compound | CHEMBL1183003 |
| Active Moiety | CHEMBL1183003 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
3.45
ALogP
6
HBA
3
HBD
139.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 26.0 | nM | 7.58 | Binding affinity against Coagulation factor X in an enzyme inhibition assay. | 10328312 |
| Serine protease 1 | Ki | = | 750.0 | nM | 6.12 | Binding affinity against trypsin in an enzyme inhibition assay. | 10328312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10328312 | 10.1016/s0960-894x(99)00164-x | Coagulation factor X | 1 |
| 10328312 | 10.1016/s0960-894x(99)00164-x | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine