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Compound Detail

CHEMBL325709

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Cc1ncn2c(=O)[nH]c(=S)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325709
Phase Preclinical
Structure Type MOL
InChI Key HSQQGRGLYOMZPY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
0.39
ALogP
4
HBA
2
HBD
66.0
PSA (Ų)
0.58
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 C6H6N4OS
MW 182.21
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
7658442 10.1021/jm00018a015 MDCK 3
7658442 10.1021/jm00018a015 HeLa 2
7658442 10.1021/jm00018a015 Vero 2
7658442 10.1021/jm00018a015 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine