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Compound Detail

CHEMBL4472027

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

Basic Information

ChEMBL ID CHEMBL4472027
Phase Preclinical
Structure Type MOL
InChI Key KKDDLYILOFMZLV-DYTRJAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.6
MW (Da)
5.14
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H31N3S
MW 333.55
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.80

Literature References

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

Data from ChEMBL 36 via Core Engine