TERFENADINE

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Synonyms
Status
Molecule Category Free-form
ATC R06AX12
UNII 7BA5G9Y06Q
EPA CompTox DTXSID2023642

Structure

InChI Key GUGOEEXESWIERI-UHFFFAOYSA-N
Smiles CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChI
InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H41NO2
Molecular Weight 471.69
AlogP 6.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 43.7
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 320 - - -
Enzyme Hydrolase
- - - - 8.2
Ion channel Other ion channel Pore-forming toxins (proteins and peptides)
- - - - 0
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 8.9-960 - 56-320 69.4-96
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 142-930 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 971 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1-563 35.48-302 40-58 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 3.7-42.7
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 65.4
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 94-375 22.39-302 - -
Cricetulus griseus
- 930 - - -
Homo sapiens
- 1-971 - 40-320 3.7-96
Oryctolagus cuniculus
- - - - 0
Rattus norvegicus
- 142 - - -
Trypanosoma cruzi
- - - - 8.2

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Related Entries

Cross References

Resources Reference
ChEBI 9453
ChEMBL CHEMBL17157
DrugBank DB00342
DrugCentral 2600
FDA SRS 7BA5G9Y06Q
Human Metabolome Database HMDB0014486
Guide to Pharmacology 2608
KEGG C07463
PharmGKB PA451619
PubChem 5405
SureChEMBL SCHEMBL5152
CONTENTS