Compound Detail
CHEMBL5846704
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CCOC(=O)CN1CCCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2C1
Basic Information
| ChEMBL ID | CHEMBL5846704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSEMDEPEWRLWEF-FRHHVXPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
648.1
MW (Da)
4.30
ALogP
11
HBA
3
HBD
169.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XI CHEMBL2820 | Ki | 6.13 | 6.13 | 736.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XI | Ki | = | 736.0 | nM | 6.13 | In Vitro Assays: Factor XIa determinations were made in 50 mM HEPES buffer at pH... | - |
Data from ChEMBL 36 via Core Engine