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Compound Detail

CHEMBL7759

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CN(C)c1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7759
Phase Preclinical
Structure Type MOL
InChI Key FQCINMURYBKZPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
3.26
ALogP
6
HBA
0
HBD
59.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12ClN5O
MW 313.75
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
3361572 10.1021/jm00400a022 Cavia porcellus 2
3361572 10.1021/jm00400a022 Adenosine receptor A1 1
3361572 10.1021/jm00400a022 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine