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Compound Detail

CHEMBL1818887

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COc1coc(/C=N/NC(N)=S)cc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1818887
Phase Preclinical
Structure Type MOL
InChI Key WLXSBCSYBDQVQA-XCVCLJGOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

227.2
MW (Da)
-0.18
ALogP
5
HBA
2
HBD
89.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9N3O3S
MW 227.25
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
21777998 10.1016/j.ejmech.2011.07.003 Tyrosinase 1

Data from ChEMBL 36 via Core Engine