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Compound Detail

CHEMBL1548655

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Nn1c(S)nnc1-c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1548655
Phase Preclinical
Structure Type MOL
InChI Key XLYBWYJEEHPZMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
0.54
ALogP
6
HBA
2
HBD
69.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6N4OS
MW 182.21
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -2.70

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.30.406 Trans-cinnamate 4-monooxygenase 1

Data from ChEMBL 36 via Core Engine