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Compound Detail

CHEMBL4278411

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COc1ccc(NC(=S)N/N=C/c2ccccc2[N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4278411
Phase Preclinical
Structure Type MOL
InChI Key DVMVUYCDBKSQBI-MHWRWJLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.92
ALogP
5
HBA
2
HBD
88.8
PSA (Ų)
0.38
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 C15H14N4O3S
MW 330.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.13

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