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Compound Detail

CHEMBL598251

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COC(=O)Nc1cc2c(-c3ccccc3)ccc(OC)c2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL598251
Phase Preclinical
Structure Type MOL
InChI Key CJZGJASKUWFLQA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
4.29
ALogP
4
HBA
1
HBD
60.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO4
MW 297.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
20034788 10.1016/j.bmcl.2009.12.028 Adenosine receptor A2a 2
24164628 10.1021/jm4011669 Adenosine receptor A2a 2
20034788 10.1016/j.bmcl.2009.12.028 Mus musculus 1
24164628 10.1021/jm4011669 Adenosine receptor A2b 1
24164628 10.1021/jm4011669 Adenosine receptor A1 1
24164628 10.1021/jm4011669 Adenosine receptor A3 1
24164628 10.1021/jm4011669 Mus musculus 1

Data from ChEMBL 36 via Core Engine