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Compound Detail

CHEMBL610635

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CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC=O)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL610635
Phase Preclinical
Structure Type MOL
InChI Key IVSJENRDNXAYOZ-NVONZOAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
-0.68
ALogP
9
HBA
4
HBD
148.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N6O4
MW 374.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.82

Literature References

PubMed DOI Target Context # Activities
1495019 10.1021/jm00093a022 Rattus norvegicus 2
1495019 10.1021/jm00093a022 Adenosine receptor A1 1
1495019 10.1021/jm00093a022 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine