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

CHEMBL128271

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
OC1(c2cccc(COc3ccc4c(-c5ccccc5)cc(-c5nn[nH]n5)cc4c3)c2)CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128271
Phase Preclinical
Structure Type MOL
InChI Key CHFKISCGTBUBLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
5.26
ALogP
6
HBA
2
HBD
93.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26N4O3
MW 478.55
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
8831761 10.1021/jm960301c Homo sapiens 2
8831761 10.1021/jm960301c Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine