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Compound Detail

CHEMBL29229

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CCN1C(=O)CC(=O)N2N=CSC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29229
Phase Preclinical
Structure Type MOL
InChI Key VGWXOCXHIQGPLT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
0.04
ALogP
4
HBA
0
HBD
53.0
PSA (Ų)
0.56
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 C7H9N3O2S
MW 199.24
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.54

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
6090665 10.1021/jm00376a027 Adenosine receptor A1 1
6090665 10.1021/jm00376a027 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine