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Compound Detail

CHEMBL255793

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CN1CCC=C(c2nsnc2OCCCCN)C1

Basic Information

ChEMBL ID CHEMBL255793
Phase Preclinical
Structure Type MOL
InChI Key FPBGNZDEFRUZFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
1.37
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.79
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 C12H20N4OS
MW 268.39
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.46

Activity Summary

IC50 1 meas. best 4.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL216
IC50 4.11 4.11 77624.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17977730 10.1016/j.bmc.2007.10.058 Muscarinic acetylcholine receptor M1 2

Data from ChEMBL 36 via Core Engine