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Compound Detail

CHEMBL2170120

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O=C1NC(=O)/C(=C/c2ccc3[nH]ccc3c2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170120
Phase Preclinical
Structure Type MOL
InChI Key HMJGKIIGEUACRU-POHAHGRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
2.49
ALogP
3
HBA
2
HBD
62.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8N2O2S
MW 244.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.08

Literature References

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

Data from ChEMBL 36 via Core Engine