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Compound Detail

CHEMBL198959

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Oc1c2nnnc-2nc2n1CCS2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198959
Phase Preclinical
Structure Type MOL
InChI Key NVDLXXNQSLZJIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
-0.02
ALogP
7
HBA
1
HBD
76.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H5N5OS
MW 195.21
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
16366607 10.1021/jm050792d Adenosine receptor A1 1
16366607 10.1021/jm050792d Adenosine receptor A2a 1
16366607 10.1021/jm050792d Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine