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Compound Detail

CHEMBL4103595

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CCCOc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(N)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4103595
Phase Preclinical
Structure Type MOL
InChI Key AXCAEKNVLVHEQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.92
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5O2
MW 361.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
28590753 10.1021/acs.jmedchem.7b00457 Adenosine receptor A3 1
28590753 10.1021/acs.jmedchem.7b00457 Adenosine receptor A2a 1
28590753 10.1021/acs.jmedchem.7b00457 Adenosine receptor A1 1
28590753 10.1021/acs.jmedchem.7b00457 Adenosine receptor A2b 1

Data from ChEMBL 36 via Core Engine