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Compound Detail

CHEMBL4447494

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Cn1c(=O)c2c(nc3n2CCN(CC#N)C3)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4447494
Phase Preclinical
Structure Type MOL
InChI Key COFGPVTTZHNCPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
-1.23
ALogP
8
HBA
0
HBD
88.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N6O2
MW 274.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
27658798 10.1016/j.bmc.2016.09.003 Adenosine receptor A2b 3
27658798 10.1016/j.bmc.2016.09.003 Adenosine receptor A3 3
27658798 10.1016/j.bmc.2016.09.003 No relevant target 3
27658798 10.1016/j.bmc.2016.09.003 Amine oxidase [flavin-containing] B 2
27658798 10.1016/j.bmc.2016.09.003 Adenosine receptor A1 2
27658798 10.1016/j.bmc.2016.09.003 Adenosine receptor A2a 2
27658798 10.1016/j.bmc.2016.09.003 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine