Compound Detail
CHEMBL6057699
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CC(C)OC(=O)Nc1ccc(-c2cnc(C3CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL6057699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPVAKGTWUMBQTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.0
MW (Da)
5.03
ALogP
9
HBA
2
HBD
132.6
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XI CHEMBL2820 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XI | IC50 | = | 4.6 | nM | 8.34 | Enzyme Activity Assay: Human Factor XIa (Haematologic Technologies Inc.) activit... | - |
Data from ChEMBL 36 via Core Engine