ADL-5747

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BRJ718SA03

Structure
InChI Key ALGHKWSXJUQNJJ-UHFFFAOYSA-N
Smile CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(O)c1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29ClN2O3
Molecular Weight 428.96
AlogP 3.82
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 61.8
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Delta opioid receptor agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 0
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- - - - 13
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - - 11
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 43000 - - 13
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 18
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 56700 - - 10
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- - - - 30
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
94 - - 3 18

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis, Knee 2 D020370 ClinicalTrials
Neuralgia, Postherpetic 2 D051474 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL561339
FDA SRS BRJ718SA03
Guide to Pharmacology 9003
PubChem 76967747
SureChEMBL SCHEMBL471356
ZINC ZINC000038358855
ChEMBL CHEMBL4297345
FDA SRS 24QBI4WA54
PubChem 76967747
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