ADL5747

Ligand id: 9003

Name: ADL5747

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 61.8
Molecular weight 392.21
XLogP 3.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N,N-diethyl-3-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
Synonyms
ADL 5747 | ADL-5747 | compound 36 [PMID: 19694468]
Database Links
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
Search UniChem for chemical match using the InChIKey ALGHKWSXJUQNJJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ALGHKWSXJUQNJJ
Comments
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.