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Compound Detail

CHEMBL152892

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CN1CCC=C(c2nsnc2SCCCc2cccs2)C1

Basic Information

ChEMBL ID CHEMBL152892
Phase Preclinical
Structure Type MOL
InChI Key IZMNUKTYIGXXPN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
4.04
ALogP
6
HBA
0
HBD
29.0
PSA (Ų)
0.59
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 C15H19N3S3
MW 337.54
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.59

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9046345 10.1021/jm9602470 Mustela putorius furo 2
9046345 10.1021/jm9602470 Muscarinic acetylcholine receptor 1
9046345 10.1021/jm9602470 Mus musculus 1

Data from ChEMBL 36 via Core Engine