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

CHEMBL4128668

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
CNc1ccccc1C(=O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4128668
Phase Preclinical
Structure Type MOL
InChI Key XLGJBANZFAQPOK-VRSZZDHTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
-0.29
ALogP
7
HBA
4
HBD
108.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H19NO6
MW 297.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.34

Literature References

PubMed DOI Target Context # Activities
28406643 10.1021/acs.jnatprod.6b01059 HeLa 1
28406643 10.1021/acs.jnatprod.6b01059 MDA-MB-231 1
28406643 10.1021/acs.jnatprod.6b01059 Indoleamine 2,3-dioxygenase 1 1
28406643 10.1021/acs.jnatprod.6b01059 SW480 1
28406643 10.1021/acs.jnatprod.6b01059 HL-60 1
28406643 10.1021/acs.jnatprod.6b01059 U2OS 1

Data from ChEMBL 36 via Core Engine