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Compound Detail

CHEMBL152919

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CCCCCCSc1nsnc1C1=CCCN(CC)C1

Basic Information

ChEMBL ID CHEMBL152919
Phase Preclinical
Structure Type MOL
InChI Key LCQRTAAPRPCYPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

311.5
MW (Da)
4.32
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N3S2
MW 311.52
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.78

Activity Summary

Ki 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 7.75 7.75 18.0 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