Compound Detail
CHEMBL6004391
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O=C(O)c1cc(-c2cnc([C@@H]3CCc4c(Cl)c(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)cs1
Basic Information
| ChEMBL ID | CHEMBL6004391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBEFDLOSPLXQOQ-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.4
MW (Da)
4.48
ALogP
9
HBA
2
HBD
131.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XI CHEMBL2820 | IC50 | 8.96 | 8.96 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XI | IC50 | = | 1.1 | nM | 8.96 | Enzyme Activity Assay: Human Factor XIa (Haematologic Technologies Inc.) activit... | - |
| Coagulation factor XI | IC50 | = | 1.1 | nM | 8.96 | Enzyme Activity Assay: Human Factor XIa activity was measured at an enzyme conce... | - |
Data from ChEMBL 36 via Core Engine