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Compound Detail

CHEMBL153723

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CCCCSc1nsnc1C1CN2CCCC1C2

Basic Information

ChEMBL ID CHEMBL153723
Phase Preclinical
Structure Type MOL
InChI Key CZKNQABKYRAKQE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

283.5
MW (Da)
3.24
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21N3S2
MW 283.47
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.38

Activity Summary

Ki 1 meas. best 9.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 9.44 9.44 0.4 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