Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2112110

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
OC[C@@H]1O[C@H](n2cnc3c2N=CCC[C@H]3O)C[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2112110
Phase Preclinical
Structure Type MOL
InChI Key RYSRLIBLOJLMGT-IMSYWVGJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
0.05
ALogP
7
HBA
3
HBD
100.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N3O4
MW 267.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.34

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
8568817 10.1021/jm9505674 Adenosine deaminase 1

Data from ChEMBL 36 via Core Engine