TRAMADOL

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Search structure


Synonyms	Amanda CG-315E E-265 ETS-6103 ETS6103 Tramadol U-26255A Ultracet Ultram
Status
Molecule Category	Free-form
ATC	N02AX02
UNII	39J1LGJ30J
EPA CompTox	DTXSID00860388


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

Structure


InChI Key	TVYLLZQTGLZFBW-UHFFFAOYSA-N
Smiles	COc1cccc(C2(O)CCCCC2CN(C)C)c1
InChI	InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H25NO2
Molecular Weight	263.38
AlogP	2.63
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	32.7
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	19.0

Assay Description	Organism	Bioactivity	Reference
Inhibition of reuptake of Norepinephrine	Homo sapiens	790.0 nM
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells at 100 uM by confocal microscopy	Homo sapiens	60.2 %
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells	Homo sapiens	9.4 nM
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells	Homo sapiens	14.0 nM
DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)	None	372.0 nM		DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)	None	198.0 nM

Related Entries

Environmental Exposure

Environmental Exposure Map

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia
Sweden
USA

Cross References

Resources	Reference
ChEBI	75722
ChEMBL	CHEMBL1237044
FDA SRS	39J1LGJ30J
Guide to Pharmacology	8286
SureChEMBL	SCHEMBL57496

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).