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Compound Detail

CHEMBL430023

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O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430023
Phase Preclinical
Structure Type MOL
InChI Key CGSXQKBHWUONAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.37
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.47
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 C22H18N6O2
MW 398.43
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
18226896 10.1016/j.bmcl.2008.01.008 Unchecked 3
18226896 10.1016/j.bmcl.2008.01.008 Adenosine receptor A2b 1
18226896 10.1016/j.bmcl.2008.01.008 Adenosine receptor A1 1
18226896 10.1016/j.bmcl.2008.01.008 Adenosine receptor A2a 1
18226896 10.1016/j.bmcl.2008.01.008 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine