AXOMADOL

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Search structure


Synonyms	Axomadol BN-110 FREE BASE BN110 BASE BN110 FREE BASE En3324 GRT-151 FREE BASE GRT0151Y GRT151 Base GRT151 FREE BASE
Status
Molecule Category	UNKNOWN
UNII	9J92U4CVS0
EPA CompTox	DTXSID70461720


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	LQJLLAOISDVBJM-UHFFFAOYSA-N
Smiles	COc1cccc(C2(O)CC(O)CCC2CN(C)C)c1
InChI	InChI=1S/C16H25NO3/c1-17(2)11-13-7-8-14(18)10-16(13,19)12-5-4-6-15(9-12)20-3/h4-6,9,13-14,18-19H,7-8,10-11H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H25NO3
Molecular Weight	279.38
AlogP	1.61
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	52.93
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	20.0

Bioactivity

Mechanism of Action	Action	Reference
Delta opioid receptor agonist	AGONIST	Wikipedia


Protein: Mu opioid receptor Description: Mu-type opioid receptor Organism : Homo sapiens P35372 ENSG00000112038











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










Protein: Kappa opioid receptor Description: Kappa-type opioid receptor Organism : Homo sapiens P41145 ENSG00000082556

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL3989680
FDA SRS	9J92U4CVS0
PubChem	15344754
SureChEMBL	SCHEMBL148228

CONTENTS

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).