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Compound Detail

CHEMBL4281873

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COc1ccc(NC(=S)N/N=C/c2cc(OC)ccc2OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4281873
Phase Preclinical
Structure Type MOL
InChI Key DMTXMYLHAQAPSB-WOJGMQOQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
3.03
ALogP
5
HBA
2
HBD
64.1
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 C17H19N3O3S
MW 345.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.56

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