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Compound Detail

CHEMBL4540846

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CCC/C(=N\NC(N)=S)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4540846
Phase Preclinical
Structure Type MOL
InChI Key XLFMAYGTDUEOFM-JLHYYAGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
2.02
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N3S
MW 221.33
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
31015905 10.1039/C9MD00005D Tyrosinase 1

Data from ChEMBL 36 via Core Engine