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Compound Detail

CHEMBL4175777

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C/C(=N\NC(N)=S)c1ccc(-c2ccc(OC(=O)c3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175777
Phase Preclinical
Structure Type MOL
InChI Key PVUYFTBWKFFJTI-BUVRLJJBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.13
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.23
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O2S
MW 389.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.01

Literature References

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

Data from ChEMBL 36 via Core Engine