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Compound Detail

CHEMBL4577288

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COc1cccc2c1C/C(=C\c1ccc(N(C)C)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577288
Phase Preclinical
Structure Type MOL
InChI Key KNPURFXHSZQWKG-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
3.58
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO2
MW 293.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.38

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