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Compound Detail

CHEMBL306945

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CCCn1c(=O)c2c(nc(/C=C/c3cc(C)c(OC)cc3C)n2C)n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306945
Phase Preclinical
Structure Type MOL
InChI Key NYAGDHMTEWNZRA-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.51
ALogP
7
HBA
0
HBD
71.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N4O3
MW 410.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00440-X Adenosine receptor A1 1
- 10.1016/S0960-894X(97)00440-X Adenosine receptor A2a 1
- 10.1016/S0960-894X(97)00440-X Adenosine receptors; A1 & A2a 1
- 10.1016/S0960-894X(97)00440-X Mus musculus 1

Data from ChEMBL 36 via Core Engine