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Compound Detail

CHEMBL29526

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CCC1C(=O)N(CC)C2SC(C)=NN2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29526
Phase Preclinical
Structure Type MOL
InChI Key QARCRJCMGOTSQQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
1.07
ALogP
4
HBA
0
HBD
53.0
PSA (Ų)
0.68
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 C10H15N3O2S
MW 241.32
Aromatic Rings 0
Heavy Atoms 16
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