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Compound Detail

CHEMBL29241

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CCC1C(=O)SC2N(C)C=CN2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29241
Phase Preclinical
Structure Type MOL
InChI Key ZLSDMBVNBSATKF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

212.3
MW (Da)
0.81
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.60
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 C9H12N2O2S
MW 212.27
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.09

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