SAMIDORPHAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7W2581Z5L8

Structure
InChI Key RYIDHLJADOKWFM-MAODMQOUSA-N
Smile NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3
InChI
InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26N2O4
Molecular Weight 370.45
AlogP 1.25
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 103.86
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Mu opioid receptor antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Feeding and Eating Disorders 2 D001068 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Alcoholism 2 D000437 ClinicalTrials
Cocaine-Related Disorders 1 D019970 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 852626-89-2
ChEMBL CHEMBL426084
DrugBank DB12543
FDA SRS 7W2581Z5L8
Guide to Pharmacology 10651
PubChem 11667832
SureChEMBL SCHEMBL2786239
ZINC ZINC000028478244
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