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Compound Detail

CHEMBL592680

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CS(=O)(=O)c1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL592680
Phase Preclinical
Structure Type MOL
InChI Key JIEWCPLESIGUCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
4.70
ALogP
6
HBA
1
HBD
93.2
PSA (Ų)
0.42
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 C24H18N2O4S2
MW 462.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
20188574 10.1016/j.bmc.2010.01.072 Adenosine receptor A3 2
20188574 10.1016/j.bmc.2010.01.072 Adenosine receptor A2b 2
20188574 10.1016/j.bmc.2010.01.072 Adenosine receptor A2a 2
20188574 10.1016/j.bmc.2010.01.072 Adenosine receptor A1 2

Data from ChEMBL 36 via Core Engine