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Compound Detail

CHEMBL245441

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CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2NCC2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245441
Phase Preclinical
Structure Type MOL
InChI Key PGIUKNHASOLPOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
2.91
ALogP
6
HBA
1
HBD
87.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16F2N4O2S
MW 366.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
17126015 10.1016/j.bmcl.2006.11.026 Unchecked 3
17126015 10.1016/j.bmcl.2006.11.026 No relevant target 1

Data from ChEMBL 36 via Core Engine