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Compound Detail

CHEMBL382935

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Oc1c2nnnc-2nc2sccn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382935
Phase Preclinical
Structure Type MOL
InChI Key QSDKOQXQNUDLSA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
0.39
ALogP
7
HBA
1
HBD
76.2
PSA (Ų)
0.56
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 C6H3N5OS
MW 193.19
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -2.43

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