ADL5859   Click here for help

GtoPdb Ligand ID: 9004

Synonyms: ADL 5859 | ADL-5859 | compound 20 [PMID: 18788723]
Compound class: Synthetic organic
Comment: ADL5859 is a potent, orally bioavailable δ opioid receptor agonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 61.8
Molecular weight 392.21
XLogP 3.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN(C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2c1c(O)ccc2)CC
Isomeric SMILES CCN(C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2c1c(O)ccc2)CC
InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3
InChI Key OPIKUXLJQFYMSC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide
Synonyms Click here for help
ADL 5859 | ADL-5859 | compound 20 [PMID: 18788723]
Database Links Click here for help
BindingDB Ligand 50252954
CAS Registry No. 850305-06-5
ChEMBL Ligand CHEMBL494480
GtoPdb PubChem SID 310264782
PubChem CID 11417954
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