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Compound Detail

CHEMBL201578

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CCCn1c(=O)c2nc(-c3ccc(OCC(=O)c4ccc(C(=O)OCC)cc4)cn3)[nH]c2n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201578
Phase Preclinical
Structure Type MOL
InChI Key OGJMAUASQGWCKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
3.21
ALogP
10
HBA
1
HBD
138.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N5O6
MW 519.56
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
16392813 10.1021/jm0506221 Adenosine receptor A2b 5
16392813 10.1021/jm0506221 Adenosine receptor A2a 5
16392813 10.1021/jm0506221 Adenosine receptor A1 2
16392813 10.1021/jm0506221 Adenosine receptor A3 2
16392813 10.1021/jm0506221 Adenosine A2 receptor 1
16392813 10.1021/jm0506221 Adenosine receptors; A2b & A3 1
16392813 10.1021/jm0506221 Adenosine receptors; A1 & A2b 1

Data from ChEMBL 36 via Core Engine