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Compound Detail

CHEMBL196702

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N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(O)NCc1ccccc1CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196702
Phase Preclinical
Structure Type MOL
InChI Key AXTZANKODNWRAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
1.90
ALogP
7
HBA
4
HBD
133.9
PSA (Ų)
0.21
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F2N6O2
MW 454.48
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.68

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