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Compound Detail

CHEMBL274888

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O=C(O)c1cn(C(CO)c2ccccc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274888
Phase Preclinical
Structure Type MOL
InChI Key LPYQWWMMDQOAQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
1.16
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.83
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 C12H12N2O3
MW 232.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
12643924 10.1016/s0960-894x(03)00026-x Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine