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

CHEMBL3707091

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
COc1cc2c(cc1OC)[C@H]1c3cc(OC)c(OC)cc3[C@H](C2)N(CC2CC2)[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3707091
Phase Preclinical
Structure Type MOL
InChI Key XGGFHAWXBHYJDK-VZYSNPOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
4.56
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31NO4
MW 409.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.55

Literature References

PubMed DOI Target Context # Activities
12502358 10.1021/jm020164l Delta-type opioid receptor 1
12502358 10.1021/jm020164l Kappa-type opioid receptor 1
12502358 10.1021/jm020164l Mu-type opioid receptor 1
12502358 10.1021/jm020164l Unchecked 1

Data from ChEMBL 36 via Core Engine