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Compound Detail

CHEMBL393624

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Cn1c(=O)c2c(nc3n2CCCN3CCOC(=O)Nc2ccc(F)cc2)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393624
Phase Preclinical
Structure Type MOL
InChI Key MKERYKUQRQXXRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
1.03
ALogP
9
HBA
1
HBD
103.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21FN6O4
MW 416.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
17827019 10.1016/j.bmc.2007.07.051 Adenosine receptor A2a 3
17827019 10.1016/j.bmc.2007.07.051 Mus musculus 2
17827019 10.1016/j.bmc.2007.07.051 Adenosine receptor A1 1
17827019 10.1016/j.bmc.2007.07.051 Adenosine receptor A3 1
17827019 10.1016/j.bmc.2007.07.051 Adenosine receptor A2b 1

Data from ChEMBL 36 via Core Engine