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

CHEMBL301066

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
CCCCOC(=O)[C@]1(c2ccccc2)CC1CN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C

Basic Information

ChEMBL ID CHEMBL301066
Phase Preclinical
Structure Type MOL
InChI Key HVDWDRVWLVNZRJ-ABTSOQBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
5.22
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37NO3
MW 447.62
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
8390575 10.1021/jm00065a009 Kappa-type opioid receptor 1
8390575 10.1021/jm00065a009 Mu-type opioid receptor 1
8390575 10.1021/jm00065a009 Opioid receptors; mu & kappa 1
8390575 10.1021/jm00065a009 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine