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Compound Detail

CHEMBL2170165

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O=C1NC(=S)N(Cc2ccccc2)/C1=C\c1ccc2[nH]ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170165
Phase Preclinical
Structure Type MOL
InChI Key KDUGOLRHSYBKPV-BOPFTXTBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.43
ALogP
2
HBA
2
HBD
48.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N3OS
MW 333.42
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.86

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