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Compound Detail

CHEMBL62541

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CCCCCCC(C(C)O)n1cccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62541
Phase Preclinical
Structure Type MOL
InChI Key IJCXQZWAZPGFQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

210.3
MW (Da)
2.78
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H22N2O
MW 210.32
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
8289197 10.1021/jm00027a026 Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine