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Compound Detail

CHEMBL503566

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CC(C)Cn1cnc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL503566
Phase Preclinical
Structure Type MOL
InChI Key LCEAETGVBDMRDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
1.06
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13N5
MW 191.24
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A1 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A2a 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A2b 1
19282184 10.1016/j.bmc.2009.02.030 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine