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Compound Detail

CHEMBL4572298

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COc1cccc2c1CCC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4572298
Phase Preclinical
Structure Type MOL
InChI Key BTYSYELHQDGJAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
1.82
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10O2
MW 162.19
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
30881617 10.1039/C8MD00540K Adenosine receptor A1 2
30881617 10.1039/C8MD00540K Adenosine receptor A2a 2

Data from ChEMBL 36 via Core Engine