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

CHEMBL3335138

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
O=C(Nc1ccccc1I)c1ccc(CN2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335138
Phase Preclinical
Structure Type MOL
InChI Key VGPQSJIFIKOJNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
3.38
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.77
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 C18H19IN2O2
MW 422.27
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
25139751 10.1016/j.bmc.2014.07.020 Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha 1

Data from ChEMBL 36 via Core Engine