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Compound Detail

CHEMBL33894

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N#CCCCn1cnc2c1NC=NCC2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33894
Phase Preclinical
Structure Type MOL
InChI Key QWGMMGSKHPEXSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
0.67
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N5O
MW 219.25
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
10780906 10.1021/jm990447m AMP deaminase 2 1
10780906 10.1021/jm990447m Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine