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Compound Detail

CHEMBL335158

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CCCCCCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335158
Phase Preclinical
Structure Type MOL
InChI Key CHOFSZFLPKTBRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

407.0
MW (Da)
5.72
ALogP
5
HBA
0
HBD
51.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27ClN4OS
MW 406.98
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
14711311 10.1021/jm031004s Hormone-sensitive lipase 1
14711311 10.1021/jm031004s Cholinesterase 1
14711311 10.1021/jm031004s Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine