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Compound Detail

CHEMBL591730

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CNc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL591730
Phase Preclinical
Structure Type MOL
InChI Key OFCNQBFNYGMDQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
4.74
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN2OS
MW 328.82
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.55

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