ADL-5747

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Search structure


Synonyms	ADL5747 Adl-5747 Adl5747
Status
Molecule Category	Salt-form
UNII	BRJ718SA03

Structure


InChI Key	ALGHKWSXJUQNJJ-UHFFFAOYSA-N
Smiles	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

Mechanism of Action	Action	Reference
Delta opioid receptor agonist	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	-	-	-	-	12.8
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9	-	-	-	-	11.4
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6	-	-	-	-	12.5
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	-	-	-	-	10.3
Ion channel Voltage-gated ion channel Voltage-gated calcium channel	-	-	-	-	29.5
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor	94	-	-	2.7	18-25

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	94	-	-	2.7	0-30.5

Target Conservation


Protein: Delta opioid receptor Description: Delta-type opioid receptor Organism : Homo sapiens P41143 ENSG00000116329

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

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025