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

CHEMBL4789782

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
O=c1c2ccccc2oc2ccc(OC[C@H]3CC[C@H](C(=O)O)CC3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789782
Phase Preclinical
Structure Type MOL
InChI Key PYBWFJSCDZFBGN-HDJSIYSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.22
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20O5
MW 352.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
33285268 10.1016/j.bmcl.2020.127722 Long-chain-fatty-acid--CoA ligase 6 1
33285268 10.1016/j.bmcl.2020.127722 Long-chain-fatty-acid--CoA ligase 4 1
33285268 10.1016/j.bmcl.2020.127722 Long-chain-fatty-acid--CoA ligase 5 1
33285268 10.1016/j.bmcl.2020.127722 Fatty acid CoA ligase Acsl3 1
33285268 10.1016/j.bmcl.2020.127722 Long-chain-fatty-acid--CoA ligase 1 1

Data from ChEMBL 36 via Core Engine