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

CHEMBL4214641

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
CCOCCN1C(=O)CC2C(=C(N)Oc3cc(OCc4ccc(Cl)cc4)ccc32)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214641
Phase Preclinical
Structure Type MOL
InChI Key DTMPKLSCBDJKOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.9
MW (Da)
3.36
ALogP
6
HBA
1
HBD
91.1
PSA (Ų)
0.52
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 C23H23ClN2O5
MW 442.90
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
29428527 10.1016/j.bmc.2017.12.032 Macrophage migration inhibitory factor 2

Data from ChEMBL 36 via Core Engine