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

CHEMBL1808090

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
CCOC(=O)/C=C/c1c(Oc2cccc(OC)c2)nc[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808090
Phase Preclinical
Structure Type MOL
InChI Key KHGNJLNSBJVYFR-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
2.15
ALogP
6
HBA
1
HBD
90.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O5
MW 316.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
21708465 10.1016/j.bmcl.2011.05.103 ALK tyrosine kinase receptor 1
21708465 10.1016/j.bmcl.2011.05.103 Insulin receptor 1
21708465 10.1016/j.bmcl.2011.05.103 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine