FAXELADOL

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Search structure


Synonyms	EM-906 EM906 Faxeladol GCR-9905 GCR9905 GRT-TA300 GRTA-0009906 GRTA-9906 GRTA0009906 GRTA9906 Grt9906
Status
Molecule Category	UNKNOWN
UNII	C04V6SGK8H


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

Structure


InChI Key	JIRYWFYYBBRJAN-ZFWWWQNUSA-N
Smiles	CN(C)C[C@@H]1CCCC[C@H]1c1cccc(O)c1
InChI	InChI=1S/C15H23NO/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3/t13-,15-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H23NO
Molecular Weight	233.35
AlogP	3.23
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	23.47
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	17.0

Bioactivity

Mechanism of Action	Action	Reference
Mu opioid receptor agonist	AGONIST	PubMed


Protein: Norepinephrine transporter Description: Sodium-dependent noradrenaline transporter Organism : Homo sapiens P23975 ENSG00000103546











Protein: Serotonin transporter Description: Sodium-dependent serotonin transporter Organism : Homo sapiens P31645 ENSG00000108576











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

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL2103829
FDA SRS	C04V6SGK8H
PubChem	9813414
SureChEMBL	SCHEMBL149508
ZINC	ZINC000033966691

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).