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Compound Detail

CHEMBL70160

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CCCCCCOc1nsnc1C1=C(C)CCN(C)C1

Basic Information

ChEMBL ID CHEMBL70160
Phase Preclinical
Structure Type MOL
InChI Key NRCRSNGJOLOBPR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
3.61
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N3OS
MW 295.45
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.45

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 7.0 6.975 100.0 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