PROTRIPTYLINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC N06AA11
UNII 4NDU154T12
EPA CompTox DTXSID0023535

Structure

InChI Key BWPIARFWQZKAIA-UHFFFAOYSA-N
Smiles CNCCCC1c2ccccc2C=Cc2ccccc21
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/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21N
Molecular Weight 263.38
AlogP 4.3
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
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(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 70.3
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1.1-17 1.4 1.6-6.8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 70.3
Homo sapiens
- 1.1-17 1.4 1.6-6.8 -

Cross References

Resources Reference
ChEBI 8597
ChEMBL CHEMBL668
DrugBank DB00344
DrugCentral 2320
FDA SRS 4NDU154T12
Human Metabolome Database HMDB0014488
Guide to Pharmacology 7285
KEGG C07408
PharmGKB PA451168
PubChem 4976
SureChEMBL SCHEMBL34267
ZINC ZINC000001530764
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