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Compound Detail

CHEMBL336478

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CN1CCC=C(c2nsnc2OCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL336478
Phase Preclinical
Structure Type MOL
InChI Key IHAWAEVTUBFODD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

490.7
MW (Da)
4.24
ALogP
10
HBA
0
HBD
76.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N6O2S2
MW 490.70
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
11741475 10.1021/jm0102405 Muscarinic acetylcholine receptor M1 1
11741475 10.1021/jm0102405 Muscarinic acetylcholine receptor M4 1
11741475 10.1021/jm0102405 Unchecked 1

Data from ChEMBL 36 via Core Engine