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Compound Detail

CHEMBL1818885

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Cn1ccc2cc(/C=N/NC(N)=S)ccc21

Basic Information

ChEMBL ID CHEMBL1818885
Phase Preclinical
Structure Type MOL
InChI Key DCVUEUARVHVTSK-NTUHNPAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
1.35
ALogP
3
HBA
2
HBD
55.3
PSA (Ų)
0.47
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 C11H12N4S
MW 232.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
27475107 10.1016/j.ejmech.2016.07.014 NON-PROTEIN TARGET 3
21777998 10.1016/j.ejmech.2011.07.003 Tyrosinase 1

Data from ChEMBL 36 via Core Engine