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Compound Detail

CHEMBL170590

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CCCn1c(=O)c2nc(-c3cc4ccccc4s3)[nH]c2n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170590
Phase Preclinical
Structure Type MOL
InChI Key UQLIQOZHJZWKNM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.59
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O2S
MW 368.46
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
1548682 10.1021/jm00083a018 Adenosine receptor A1 1
1548682 10.1021/jm00083a018 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine