ADL5747   Click here for help

GtoPdb Ligand ID: 9003

Synonyms: ADL 5747 | ADL-5747 | compound 36 [PMID: 19694468]
Compound class: Synthetic organic
Comment: ADL5747 is a selective, nonpeptidic δ opioid receptor agonist [1]. Due to its favorable efficacy, safety, and pharmacokinetic profile ADL5747 was progressed as a clinical candidate for the treatment of pain.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
Canonical SMILES CCN(C(=O)c1ccc(c(c1)O)C1=CC2(CCNCC2)Oc2c1cccc2)CC
Isomeric SMILES CCN(C(=O)c1ccc(c(c1)O)C1=CC2(CCNCC2)Oc2c1cccc2)CC
InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)17-9-10-18(21(27)15-17)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
ADL 5747 | ADL-5747 | compound 36 [PMID: 19694468]
Database Links Click here for help
Specialist databases
GPCRdb Ligand ADL5747
Other databases
BindingDB Ligand 50297342
CAS Registry No. 850176-30-6
ChEMBL Ligand CHEMBL561339
GtoPdb PubChem SID 310264781
PubChem CID 11200189
Search Google for chemical match using the InChIKey ALGHKWSXJUQNJJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ALGHKWSXJUQNJJ
UniChem Compound Search for chemical match using the InChIKey ALGHKWSXJUQNJJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ALGHKWSXJUQNJJ-UHFFFAOYSA-N