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

CHEMBL439055

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
Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL439055
Phase Preclinical
Structure Type MOL
InChI Key SGKGZYGMLGVQHP-ZOQUXTDFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
-2.54
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.46
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 C10H14N2O6
MW 258.23
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.66

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19260677 10.1021/jm801224t NON-PROTEIN TARGET 8
19260677 10.1021/jm801224t MCF7 2
18189347 10.1021/jm7010673 Plasmodium falciparum 1
18189347 10.1021/jm7010673 CHO 1
17438061 10.1128/aac.01284-06 Thymidine kinase 1
19260677 10.1021/jm801224t OCI-AML2 1
19260677 10.1021/jm801224t OVCAR-4 1
19260677 10.1021/jm801224t COLO 205 1
19260677 10.1021/jm801224t ADMET 1
19260677 10.1021/jm801224t T47D 1
19260677 10.1021/jm801224t PC-3 1
19260677 10.1021/jm801224t SNB-19 1

Data from ChEMBL 36 via Core Engine