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Compound Detail

CHEMBL4104206

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FC(F)(F)c1ccc(NC(=S)NCCN2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4104206
Phase Preclinical
Structure Type MOL
InChI Key ILPQABJNSHQMDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.48
ALogP
2
HBA
2
HBD
27.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20F3N3S
MW 331.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -2.21

Literature References

PubMed DOI Target Context # Activities
28433681 10.1016/j.ejmech.2017.03.050 Acetylcholinesterase 3
28433681 10.1016/j.ejmech.2017.03.050 Unchecked 1

Data from ChEMBL 36 via Core Engine