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

CHEMBL369475

CODEINE MONOHYDRATE
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
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369475
Name CODEINE MONOHYDRATE
Phase Preclinical
Structure Type MOL
InChI Key WRRSFOZOETZUPG-FFHNEAJVSA-N
Parent Compound CHEMBL485
Active Moiety CHEMBL485
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
1.50
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO4
MW 317.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.27

Activity Summary

IC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
 IC50 6.28 6.28 520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mu-type opioid receptor IC50 = 520.0 nM 6.28 Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand 11585443

Literature References

PubMed DOI Target Context # Activities
11585443 10.1021/jm010877o Mu-type opioid receptor 1
11585443 10.1021/jm010877o Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine