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Compound Detail

CHEMBL444521

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COc1ccc(NC(=S)NN)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL444521
Phase Preclinical
Structure Type MOL
InChI Key XFTUQILJEQYQHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

197.3
MW (Da)
0.86
ALogP
3
HBA
3
HBD
59.3
PSA (Ų)
0.37
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 C8H11N3OS
MW 197.26
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
19397322 10.1021/jm800861c NON-PROTEIN TARGET 2
24878638 10.1016/j.ejmech.2014.05.044 Indoleamine 2,3-dioxygenase 1 1

Data from ChEMBL 36 via Core Engine