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Compound Detail

CHEMBL13697

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

Basic Information

ChEMBL ID CHEMBL13697
Phase Preclinical
Structure Type MOL
InChI Key KSASRRZGFKXVMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
1.25
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.82
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 C13H14N2O3
MW 246.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.54

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