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

CHEMBL519649

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
CN/N=C(/c1cc(OC)c(OC)c(OC)c1)c1ccc2c(ccn2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519649
Phase Preclinical
Structure Type MOL
InChI Key FIHNFMPWAJJYDG-ZBJSNUHESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
3.18
ALogP
6
HBA
1
HBD
57.0
PSA (Ų)
0.55
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 C20H23N3O3
MW 353.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
18502133 10.1016/j.bmc.2008.04.054 Unchecked 1
18502133 10.1016/j.bmc.2008.04.054 HeLa 1
18502133 10.1016/j.bmc.2008.04.054 HT-29 1
18502133 10.1016/j.bmc.2008.04.054 A549 1
18502133 10.1016/j.bmc.2008.04.054 HL-60 1

Data from ChEMBL 36 via Core Engine