Compound Detail
CHEMBL103461
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O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cnnn1
Basic Information
| ChEMBL ID | CHEMBL103461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOKFRQVFMZFNBC-UHFFFAOYSA-N |
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
552.3
MW (Da)
1.68
ALogP
10
HBA
2
HBD
146.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29407959 | 10.1016/j.ejmech.2018.01.067 | Prothrombin | 2 |
| 15163182 | 10.1021/jm030303e | Prothrombin | 1 |
| 15163182 | 10.1021/jm030303e | NON-PROTEIN TARGET | 1 |
| 29407959 | 10.1016/j.ejmech.2018.01.067 | Plasma | 1 |
| 29072911 | 10.1021/acs.jmedchem.7b00772 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine