NORTRIPTYLINE


Synonyms	Allegron Aventyl Desitriptilina Lumbeck Motipress Motival NCI-169453 NSC-757234 Noramitriptyline Nortrilen Nortriptyline Pamelor Sesaval
Status
Molecule Category	Free-form
ATC	N06AA10
UNII	BL03SY4LXB
EPA CompTox	DTXSID9023384

Structure


InChI Key	PHVGLTMQBUFIQQ-UHFFFAOYSA-N
Smiles	CNCCC=C1c2ccccc2CCc2ccccc21
InChI	InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H21N
Molecular Weight	263.38
AlogP	3.83
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	12.03
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	0-25
Ion channel Ligand-gated ion channel 5HT3 receptor	-	170	-	-	-
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	69.4
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	0.04	-	-	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor	-	0.05	-	-	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	170	-	214	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	-	-	6.3	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	280-450	69.4
Homo sapiens	-	-	-	214	-
Mus musculus	-	500	-	-	-
Plasmodium falciparum K1	-	500	-	-	-
Rattus norvegicus	-	7-170	-	-	-
Trypanosoma cruzi	-	-	-	-	0-25

Related Entries

Environmental Exposure

Environmental Exposure Map

Countries
Romania
Serbia

Cross References

Resources	Reference
ChEBI	7640
ChEMBL	CHEMBL445
DrugBank	DB00540
DrugCentral	1971
FDA SRS	BL03SY4LXB
Human Metabolome Database	HMDB0014680
Guide to Pharmacology	2404
KEGG	C07274
PDB	21B
PharmGKB	PA450657
PubChem	4543
SureChEMBL	SCHEMBL34527
ZINC	ZINC000001530741

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).

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).