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

CHEMBL606643

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
CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1cccc(O)c13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL606643
Phase Preclinical
Structure Type MOL
InChI Key GYMBGGQAAJAPFL-DJIMGWMZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
1.37
ALogP
4
HBA
2
HBD
60.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO3
MW 287.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.75

Activity Summary

IC50 2 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptor
CHEMBL2094129
 IC50 9.7 9.085 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Opioid receptor IC50 = 0.2 nM 9.7 Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid recepto... 6094809
Opioid receptor IC50 = 3.4 nM 8.47 Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid recepto... 6094809

Literature References

PubMed DOI Target Context # Activities
6094809 10.1021/jm00378a009 Opioid receptor 3
6094809 10.1021/jm00378a009 Mus musculus 2

Data from ChEMBL 36 via Core Engine