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Compound Detail

CHEMBL4281971

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Cc1ccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4281971
Phase Preclinical
Structure Type MOL
InChI Key MVWYMFHXBYGLRK-MHWRWJLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.22
ALogP
4
HBA
2
HBD
79.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4O2S
MW 314.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.29

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