Compound Detail
CHEMBL6051428
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
COC(=O)Nc1ccc(-c2cnc(C(Cc3cccnc3)n3ccc(-c4cc(Cl)ccc4-n4cnnn4)cc3=O)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL6051428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKFNRTMHNYLHSG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
594.0
MW (Da)
4.94
ALogP
10
HBA
2
HBD
145.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XI CHEMBL2820 | IC50 | 8.24 | 8.24 | 5.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XI | IC50 | = | 5.7 | nM | 8.24 | Enzyme Activity Assay: Human Factor XIa (Haematologic Technologies Inc.) activit... | - |
| Coagulation factor XI | IC50 | = | 5.7 | nM | 8.24 | Enzyme Activity Assay: Human Factor XIa activity was measured at an enzyme conce... | - |
Data from ChEMBL 36 via Core Engine