TERFENADINE

Search structure
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R06AX12
UNII: 7BA5G9Y06Q

Structure
InChI Key GUGOEEXESWIERI-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist
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
- - - -
Enzyme Isomerase
- 190000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 3566 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 6123 - - -
Enzyme Transferase
- - - - 16.77-21.99
Enzyme
- 1130-8100 - - 16.77-21.99
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -73.03-0.38
Ion channel Other ion channel Pore-forming toxins (proteins and peptides)
- - - - 0
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 8.9-56000 - 56-320 69.4-96
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 250-375 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 971 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 1103 - 852 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
- 2677 - 892 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 2900 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 2340 - 1846 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 1503 - 1337 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1-563 35.48-302 2.587-58 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1231 - 30 -
Membrane receptor
- 1-563 35.48-302 2.587-58 -
Transcription factor
- 5140 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1928 - 1912 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 33.3
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
- 1100-2700 - - 6-112

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis, Chronic Progressive 3 D020528 ClinicalTrials
Mucopolysaccharidosis I 3 D008059 ClinicalTrials
Multiple Sclerosis 3 D009103 ClinicalTrials
Hepatitis B, Chronic 2 D019694 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Hepatitis D 2 D003699 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Peanut Hypersensitivity 2 D021183 ClinicalTrials
Urinary Bladder Neoplasms 1 D001749 ClinicalTrials
Esophageal Neoplasms 1 D004938 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 9453
ChEMBL CHEMBL17157
DrugBank DB00342
DrugCentral 2600
EPA CompTox DTXSID2023642
FDA SRS 7BA5G9Y06Q
Human Metabolome Database HMDB14486
Guide to Pharmacology 2608
KEGG C07463
PharmGKB PA451619
PubChem 5405
SureChEMBL SCHEMBL5152
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