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Compound Detail

CHEMBL173102

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CCCn1c(=O)c2nc(-c3cc(S(=O)(=O)[O-])co3)[nH]c2n(CCC)c1=O.[K+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173102
Phase Preclinical
Structure Type MOL
InChI Key QVNDFDGBONTLAT-UHFFFAOYSA-M
Parent Compound CHEMBL1205988
Active Moiety CHEMBL1205988
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
1.21
ALogP
8
HBA
2
HBD
140.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17KN4O6S
MW 420.49
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.73

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