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Compound Detail

CHEMBL1935769

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Cn1ncc2nc(N3CCOCC3)n3nc(-c4ccco4)nc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1935769
Phase Preclinical
Structure Type MOL
InChI Key IBTVWJBTRQGRMW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
1.11
ALogP
9
HBA
0
HBD
86.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N7O2
MW 325.33
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -2.28

Literature References

PubMed DOI Target Context # Activities
22204739 10.1016/j.bmc.2011.11.037 Adenosine receptor A3 3
22204739 10.1016/j.bmc.2011.11.037 Adenosine receptor A1 2
22204739 10.1016/j.bmc.2011.11.037 Adenosine receptor A2a 2
22204739 10.1016/j.bmc.2011.11.037 Adenosine receptor A2b 1

Data from ChEMBL 36 via Core Engine