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

CHEMBL426084

SAMIDORPHAN
💊 Approved Drug
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
💊 Approved Drug
NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL426084
Name SAMIDORPHAN
Phase Approved
Structure Type MOL
InChI Key RYIDHLJADOKWFM-MAODMQOUSA-N
Therapeutic ✓ Yes

Known Names

ALKS 33 Alks-33 RDC-0313 RDC-0313-00 Samidorfano Samidorphan SAMIDORPHAN COMPONENT OF ALKS-5461
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
7
Known Names
4
Indications
1
Mechanisms

Molecular Properties

370.4
MW (Da)
1.25
ALogP
5
HBA
3
HBD
103.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2021
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -orphan
USAN Year 2011

Extended Properties

Molecular Formula C21H26N2O4
MW 370.45
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 1.17

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Mu opioid receptor antagonist ANTAGONIST Mu-type opioid receptor ✓ ✓

Indications

Alcoholism Feeding and Eating Disorders Schizophrenia Cocaine-Related Disorders

Activity Summary

Ki 3 meas. best 10.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
 Ki 10.28 10.28 0.1 1
Kappa-type opioid receptor
CHEMBL237
 Ki 9.64 9.64 0.2 1
Delta-type opioid receptor
CHEMBL236
 Ki 8.59 8.59 2.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mu-type opioid receptor Ki = 0.052 nM 10.28 Binding affinity against Opioid receptor mu 1 expressed in CHO cells using [3H]D... 15808478
Kappa-type opioid receptor Ki = 0.23 nM 9.64 Binding affinity against Opioid receptor kappa 1 expressed in CHO cells using [3... 15808478
Delta-type opioid receptor Ki = 2.6 nM 8.59 Binding affinity against Opioid receptor delta 1 expressed in CHO cells using [3... 15808478

Literature References

PubMed DOI Target Context # Activities
15808478 10.1016/j.bmcl.2005.02.032 Mu-type opioid receptor 1
15808478 10.1016/j.bmcl.2005.02.032 Delta-type opioid receptor 1
15808478 10.1016/j.bmcl.2005.02.032 Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine