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

CHEMBL481087

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
COc1ccc2c(c1)cc(C(C#N)N(C)C)n2C(=O)c1cc(OC)c(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481087
Phase Preclinical
Structure Type MOL
InChI Key FRWYSERGVJERBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
3.49
ALogP
8
HBA
0
HBD
86.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O5
MW 423.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
18588280 10.1021/jm800150d KB 1
18588280 10.1021/jm800150d NCI-H460 1
18588280 10.1021/jm800150d MKN-45 1
18588280 10.1021/jm800150d NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine