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Compound Detail

CHEMBL28135

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CCC1C(=O)N2C=CSC2N(CC)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL28135
Phase Preclinical
Structure Type MOL
InChI Key YYGAISHTRHVWSY-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
1.20
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N2O2S
MW 226.30
Aromatic Rings 0
Heavy Atoms 15

Activity Summary

IC50 2 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