ALVIMOPAN

Search structure
Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A06AH02
UNII: 677C126AET

Structure
InChI Key UPNUIXSCZBYVBB-JVFUWBCBSA-N
Smile C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1
InChI
InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H32N2O4
Molecular Weight 424.54
AlogP 3.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 89.87
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Mu opioid receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Slow voltage-gated potassium channel accessory protein family
- 50118.72 - - -
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 20.51
Enzyme
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 6.64-72.7
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 794328.23-63095734.45 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 5011.87 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 251188.64 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 1.7-3.162 - 0.3162-0.77 50

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Peritoneal Neoplasms 3 D010534 ClinicalTrials
Fallopian Tube Neoplasms 3 D005185 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Ileus 3 D045823 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135686
ChEMBL CHEMBL270190
DrugBank DB06274
DrugCentral 143
EPA CompTox DTXSID60166035
FDA SRS 677C126AET
Human Metabolome Database HMDB15631
Guide to Pharmacology 7471
PDB NG0
PharmGKB PA164754864
PubChem 51397022
SureChEMBL SCHEMBL49578
ZINC ZINC000003802417
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