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

CHEMBL4788438

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
CCCCc1ccc(Oc2ccc(CCC(CO)(CO)NC(C)=O)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4788438
Phase Preclinical
Structure Type MOL
InChI Key WLJXWMXGAHINQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
4.77
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33NO4
MW 435.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
33592537 10.1016/j.ejmech.2021.113274 HT-29 1

Data from ChEMBL 36 via Core Engine