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Compound Detail

CHEMBL4159844

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CCCOc1ccc(-c2ccc(/C(C)=N/NC(N)=S)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4159844
Phase Preclinical
Structure Type MOL
InChI Key XLUOMKONRFLXKZ-DEDYPNTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.70
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3OS
MW 327.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
28865277 10.1016/j.ejmech.2017.08.033 Tyrosinase 1

Data from ChEMBL 36 via Core Engine