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Compound Detail

CHEMBL382542

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N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382542
Phase Preclinical
Structure Type MOL
InChI Key LGPYFKQSVODCRK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

486.9
MW (Da)
2.76
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClF2N6O2
MW 486.91
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.20

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