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Compound Detail

CHEMBL612163

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CCCCCCC#Cc1nc2c(N)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL612163
Phase Preclinical
Structure Type MOL
InChI Key OIMMRHBOIMZDAG-HETNKJQDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
0.34
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.42
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 C18H25N5O4
MW 375.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
1732541 10.1021/jm00080a007 Rattus norvegicus 2
1732541 10.1021/jm00080a007 Adenosine receptor A1 1
1732541 10.1021/jm00080a007 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine