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Compound Detail

CHEMBL251871

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CCn1c(=O)[nH]c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL251871
Phase Preclinical
Structure Type MOL
InChI Key GNRVZVXIQMSGSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
1.34
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N6O2
MW 336.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.76

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