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Compound Detail

CHEMBL4098141

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COc1ccc(-c2cn3c(=O)n(-c4ccccc4)nc3c(=O)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4098141
Phase Preclinical
Structure Type MOL
InChI Key BFBWMNRNXWQASW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
1.85
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.62
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 C18H14N4O3
MW 334.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.99

Literature References

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

Data from ChEMBL 36 via Core Engine