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Compound Detail

CHEMBL447363

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Cc1nn(C)c2[nH]c3c(c(=O)c12)CSC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL447363
Phase Preclinical
Structure Type MOL
InChI Key ZWNLFVIBRHFZCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
1.32
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11N3OS
MW 221.28
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
18713665 10.1016/j.bmcl.2008.07.091 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine