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Compound Detail

CHEMBL48717

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Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48717
Phase Preclinical
Structure Type MOL
InChI Key DGTKDVQDJOYSOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

555.5
MW (Da)
5.29
ALogP
5
HBA
3
HBD
113.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19F6N5O2S
MW 555.50
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
11960487 10.1021/jm0109513 Prothrombin 1

Data from ChEMBL 36 via Core Engine