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Compound Detail

CHEMBL13607

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CC(C)CSCC1CC(n2cnc3c(N)nccc32)C(O)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13607
Phase Preclinical
Structure Type MOL
InChI Key YWYVJYYRPPJEDC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.5
MW (Da)
1.69
ALogP
7
HBA
3
HBD
97.2
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 C16H24N4O2S
MW 336.46
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
3874962 10.1021/jm00146a027 Muscarinic acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine