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Compound Detail

CHEMBL464438

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CCn1c(C)cn2c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL464438
Phase Preclinical
Structure Type MOL
InChI Key WZJQITZITRNABL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
1.52
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.62
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 C17H17N5O2
MW 323.36
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
19006671 10.1016/j.bmc.2008.10.049 Adenosine receptor A1 1
19006671 10.1016/j.bmc.2008.10.049 Adenosine receptor A2a 1
19006671 10.1016/j.bmc.2008.10.049 Adenosine receptor A2b 1
19006671 10.1016/j.bmc.2008.10.049 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine