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

CHEMBL453371

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
COc1cc(/C=C\c2ccc(OC)c(NC(=O)NCCN3CCOCC3)c2)cc(OC)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL453371
Phase Preclinical
Structure Type MOL
InChI Key WMWHUBJEEYPPML-MKWAYWHRSA-N
Parent Compound CHEMBL1186187
Active Moiety CHEMBL1186187
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.34
ALogP
6
HBA
2
HBD
81.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32ClN3O5
MW 477.99
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
19117761 10.1016/j.bmc.2008.12.002 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine