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

CHEMBL231630

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
[N-]=[N+]=NCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL231630
Phase Preclinical
Structure Type MOL
InChI Key QCGRPTISDJQMGN-BNHYGAARSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
-0.83
ALogP
5
HBA
3
HBD
118.7
PSA (Ų)
0.31
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 C7H13N3O4
MW 203.20
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.77

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
17317181 10.1016/j.bmcl.2007.02.017 IAG-nucleoside hydrolase 1
17582660 10.1016/j.ejmech.2007.03.027 IAG-nucleoside hydrolase 1

Data from ChEMBL 36 via Core Engine