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Compound Detail

CHEMBL4288647

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COc1ccc(NC(=S)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4288647
Phase Preclinical
Structure Type MOL
InChI Key DMIIXLSDFKNOKK-YBFXNURJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.04
ALogP
6
HBA
2
HBD
73.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O4S
MW 375.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
30389409 10.1016/j.bmc.2018.10.030 Low molecular weight protein-tyrosine phosphatase A 2

Data from ChEMBL 36 via Core Engine