Compound Detail
CHEMBL5810881
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COC(=O)Nc1ccc2c(c1)NC(=O)CCCCC(c1ccc(-c3c(F)ccc(Cl)c3F)c[n+]1[O-])c1nc-2c(Cl)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5810881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZHSSBBIGXHETL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
602.4
MW (Da)
6.78
ALogP
5
HBA
3
HBD
123.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kallikrein-1 CHEMBL2319 | Ki | 9.68 | 9.68 | 0.2 | 1 |
| Coagulation factor XI CHEMBL2820 | Ki | 9.28 | 9.28 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kallikrein-1 | Ki | = | 0.21 | nM | 9.68 | Kallikrein Assay: The effectiveness of a compound of the present invention as an... | - |
| Coagulation factor XI | Ki | = | 0.52 | nM | 9.28 | Factor XIa Assay: The effectiveness of a compound of the present invention as an... | - |
Data from ChEMBL 36 via Core Engine