Compound Detail
CHEMBL5795285
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COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](c1ccc(-c3c(F)ccc(Cl)c3F)c[n+]1[O-])c1nc-2c[nH]1
Basic Information
| ChEMBL ID | CHEMBL5795285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYSVSPUJOFJUCF-DNVCBOLYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
582.0
MW (Da)
6.38
ALogP
5
HBA
3
HBD
123.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XI CHEMBL2820 | Ki | 9.77 | 9.77 | 0.2 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 9.62 | 9.62 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XI | Ki | = | 0.17 | nM | 9.77 | Factor XIa Assay: The effectiveness of a compound of the present invention as an... | - |
| Kallikrein-1 | Ki | = | 0.24 | nM | 9.62 | Kallikrein Assay: The effectiveness of a compound of the present invention as an... | - |
Data from ChEMBL 36 via Core Engine