Compound Detail
CHEMBL5928310
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COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](c1ccc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)c[n+]1[O-])c1cccc-2c1
Basic Information
| ChEMBL ID | CHEMBL5928310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZFPYNKLVBCZMF-SANMLTNESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
643.5
MW (Da)
7.36
ALogP
7
HBA
2
HBD
125.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XI CHEMBL2820 | Ki | 9.89 | 9.89 | 0.1 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 9.44 | 9.44 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XI | Ki | = | 0.13 | nM | 9.89 | Factor XIa Assay: The effectiveness of a compound of the present invention as an... | - |
| Kallikrein-1 | Ki | = | 0.36 | nM | 9.44 | Kallikrein Assay: The effectiveness of a compound of the present invention as an... | - |
Data from ChEMBL 36 via Core Engine