Adl-5859
Basic information
- CAS
850305-06-5- Standard SMILES
CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1- InChIKey
OPIKUXLJQFYMSC-UHFFFAOYSA-N- Molecular formula
- C24H28N2O3
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.20999276
Overview
ADL5859 is a novel, oral compound that targets the Delta opioid receptor. Delta receptor agonists are thought to offer benefits over other approaches to the management of pain.
Names & identifiers
- Preferred name
- Adl-5859
- IUPAC
- N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide
- English name
- ADL5859
- Molecular formula
- C24H28N2O3
- Molecular weight
- 392.49
Names & synonyms
ADL-5859850305-06-5ADL5859ADL 5859FA554TW3UPBenzamide, N,N-diethyl-4-(5-hydroxyspiro(2H-1-benzopyran-2,4'-piperidin)-4-yl)-RefChem:553105UNII-FA554TW3UPN,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidin]-4-yl)benzamideCHEMBL494480PF-04856880N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide
Show more names
N,N-diethyl-4-{5-hydroxyspiro[chromene-2,4'-piperidin]-4-yl}benzamideBenzamide, N,N-diethyl-4-(5-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-4-yl)-
N,N-Diethyl-4-(5-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-4-yl)benzamideSCHEMBL467481GTPL9004orb1703820BDBM50252954AKOS040745490SB19530compound 20 [PMID: 18788723]
Database identifiers
- CAS
850305-06-5- PubChem CID
- 11417954
- ChEMBL
CHEMBL494480- UNII
- FA554TW3UP
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Boiling point
- 596 · 596.0±50.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 8.95 · 8.95±0.20(Predicted)
- FDA UNII
- 554 TW3UP · FA554TW3UP
Chemistry & industry
Pharmacology
Mechanism of ActionADL5859 is a novel, oral compound that targets the Delta opioid receptor. Delta receptor agonists are thought to offer benefits over other approaches to the management of pain.
Applications
UsesADL-5859 is a selective and orally active δ opioid receptor (DOR) agonist with an Ki and an EC50 value of 0.84 and 20 nM, respectively. ADL-5859 also shows inhibitory activity to hERG channel with an IC50 value of 78 μM. ADL-5859 can be used for the research of pain[1][2].
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Compound notes
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