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Compound Detail

CHEMBL186783

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O=c1c(C2CCCCC2)nc(-c2nccs2)c2n1CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186783
Phase Preclinical
Structure Type MOL
InChI Key YYXQGVQSDCEMSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
3.36
ALogP
5
HBA
0
HBD
47.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3OS
MW 301.42
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
15482928 10.1016/j.bmcl.2004.08.057 Unchecked 1

Data from ChEMBL 36 via Core Engine