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Compound Detail

CHEMBL605813

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CC(C)CSC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL605813
Phase Preclinical
Structure Type MOL
InChI Key JDDUQGRUPLKDNT-OYBGHCQBSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
0.42
ALogP
9
HBA
3
HBD
119.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H21N5O3S
MW 339.42
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.65

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11814819 10.1016/s0960-894x(01)00789-2 Adenosylhomocysteinase 2
3874962 10.1021/jm00146a027 Muscarinic acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine