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Compound Detail

CHEMBL2170152

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N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(N)=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170152
Phase Preclinical
Structure Type MOL
InChI Key ZJUPLUDEWMWRRF-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

233.2
MW (Da)
1.79
ALogP
4
HBA
1
HBD
93.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H7N3O2S
MW 233.25
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
23006064 10.1021/jm3008773 Tyrosyl-DNA phosphodiesterase 1 1

Data from ChEMBL 36 via Core Engine