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Compound Detail

CHEMBL70670

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CCCCOc1nsnc1C1=CCC(C)N(C)C1

Basic Information

ChEMBL ID CHEMBL70670
Phase Preclinical
Structure Type MOL
InChI Key YGJVFXOACAMRAX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
2.82
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.77
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 C13H21N3OS
MW 267.40
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.40

Activity Summary

IC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 8.1 8.075 8.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80072-4 Muscarinic acetylcholine receptor M1 3

Data from ChEMBL 36 via Core Engine