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Compound Detail

CHEMBL72041

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CCn1c(=O)c2cc3nc(-c4ccccc4)[nH]c3cc2n(CC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72041
Phase Preclinical
Structure Type MOL
InChI Key ISGGJHOLPAIOFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.75
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O2
MW 334.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
2795597 10.1021/jm00130a004 Adenosine A2 receptor 2
2795597 10.1021/jm00130a004 Adenosine receptor A1 1

Data from ChEMBL 36 via Core Engine