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

CHEMBL483459

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
C[n+]1c2ccccc2c(NCCN2CCOCC2)c2oc3ccccc3c21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483459
Phase Preclinical
Structure Type MOL
InChI Key NISCBFMQQACITA-UHFFFAOYSA-N
Parent Compound CHEMBL1186945
Active Moiety CHEMBL1186945
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.31
ALogP
4
HBA
1
HBD
41.5
PSA (Ų)
0.57
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 C22H24IN3O2
MW 489.36
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
18821749 10.1021/jm800497p Unchecked 3

Data from ChEMBL 36 via Core Engine