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Compound Detail

CHEMBL103278

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CCOC(=O)CCN1CCN(c2ccc3c(O)cc(-c4ccccc4)nc3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103278
Phase Preclinical
Structure Type MOL
InChI Key MZNYHTOYWYLUGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.08
ALogP
7
HBA
1
HBD
78.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O3
MW 406.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
15163184 10.1021/jm030977p Adenosine receptor A1 2
15163184 10.1021/jm030977p Adenosine receptor A2a 2
15163184 10.1021/jm030977p Unchecked 2

Data from ChEMBL 36 via Core Engine