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

CHEMBL3622716

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
COC[C@@]1(CCCCCI)C[C@@H](C(=O)OC)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3622716
Phase Preclinical
Structure Type MOL
InChI Key ZKIYNWJCXRAJTI-QASJVYOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

614.5
MW (Da)
5.70
ALogP
7
HBA
0
HBD
92.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39IO7
MW 614.52
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 2.04

Literature References

PubMed DOI Target Context # Activities
26330078 10.1016/j.bmcl.2015.06.092 Kappa-type opioid receptor 4
26330078 10.1016/j.bmcl.2015.06.092 Delta-type opioid receptor 2
26330078 10.1016/j.bmcl.2015.06.092 Mu-type opioid receptor 2

Data from ChEMBL 36 via Core Engine