ELUXADOLINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A07DA06
UNII: 45TPJ4MBQ1

Structure
InChI Key QFNHIDANIVGXPE-FNZWTVRRSA-N
Smile COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O
InChI
InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H35N5O5
Molecular Weight 569.66
AlogP 4.16
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 164.63
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 42.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist FDA
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
1 - - 1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
35.76
Injury, poisoning and procedural complications
13.21
General disorders and administration site conditions
12.83
Nervous system disorders
5.99
Investigations
4.3
Psychiatric disorders
4.22
Cardiac disorders
3.66
Musculoskeletal and connective tissue disorders
3.32
Vascular disorders
2.86
Skin and subcutaneous tissue disorders
2.83
Respiratory, thoracic and mediastinal disorders
2.64
Hepatobiliary disorders
2.1

Cross References

Resources Reference
CAS NUMBER 864821-90-9
ChEBI 85980
ChEMBL CHEMBL2159122
DrugBank DB09272
DrugCentral 5001
EPA CompTox DTXSID70235589
FDA SRS 45TPJ4MBQ1
Guide to Pharmacology 7691
PubChem 11250029
SureChEMBL SCHEMBL12971682
ZINC ZINC000014210876
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