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Compound Detail

CHEMBL126866

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CN1CCCCC1CC1(c2ccccc2)SCCCS1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126866
Phase Preclinical
Structure Type MOL
InChI Key SMQORHVIBSWOJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.5
MW (Da)
4.58
ALogP
3
HBA
0
HBD
3.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25NS2
MW 307.53
Aromatic Rings 1
Heavy Atoms 20

Literature References

PubMed DOI Target Context # Activities
14552793 10.1016/s0960-894x(03)00728-5 Neuronal acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine