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Compound Detail

CHEMBL315101

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CCCCCCC#Cc1nc(N)c2[nH]cnc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315101
Phase Preclinical
Structure Type MOL
InChI Key ABCGZUNPGHUFFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
2.26
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N5
MW 243.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.15

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