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Compound Detail

CHEMBL2170146

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O=C1NC(=S)/C(=C/c2ccccc2-c2nnn[nH]2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170146
Phase Preclinical
Structure Type MOL
InChI Key YQOWFIMMAPHWBS-YVMONPNESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
1.99
ALogP
6
HBA
2
HBD
83.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H7N5OS2
MW 289.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.77

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine