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Compound Detail

CHEMBL196030

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N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196030
Phase Preclinical
Structure Type MOL
InChI Key PEWQLWMIYGORBX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

525.9
MW (Da)
2.28
ALogP
9
HBA
2
HBD
148.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18ClF2N9O2
MW 525.91
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.96

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15911253 10.1016/j.bmcl.2005.03.110 Prothrombin 1
15911253 10.1016/j.bmcl.2005.03.110 Tissue factor 1

Data from ChEMBL 36 via Core Engine