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Compound Detail

CHEMBL602717

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CS(=O)(=O)c1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL602717
Phase Preclinical
Structure Type MOL
InChI Key IILYBKYBRATCRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
5.19
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N2O3S2
MW 434.54
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.57

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