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Compound Detail

CHEMBL2377386

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CN(C)CCSC(c1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL2377386
Phase Preclinical
Structure Type MOL
InChI Key ILKSGFCZAVPHSM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
4.07
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.78
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 C17H21NS
MW 271.43
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.64

Activity Summary

Ki 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.11 6.11 775.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 775.0 nM 6.11 Displacement of [3H] N-methylscopolamine from muscarinic acetylcholine receptor ... 23523385

Literature References

PubMed DOI Target Context # Activities
23523385 10.1016/j.bmc.2013.01.072 Unchecked 1

Data from ChEMBL 36 via Core Engine