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

CHEMBL485495

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(NCCCO)c2[nH]c3ccccc3c21.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485495
Phase Preclinical
Structure Type MOL
InChI Key AKNYERZQNLQHJI-UHFFFAOYSA-N
Parent Compound CHEMBL1186987
Active Moiety CHEMBL1186987
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
3.09
ALogP
2
HBA
3
HBD
51.9
PSA (Ų)
0.40
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 C19H20IN3O
MW 433.29
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
18821749 10.1021/jm800497p Unchecked 3
28530833 10.1021/acs.jmedchem.6b01444 Unchecked 3

Data from ChEMBL 36 via Core Engine