LORATADINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC R06AX13
UNII 7AJO3BO7QN
EPA CompTox DTXSID2023224

Structure

InChI Key JCCNYMKQOSZNPW-UHFFFAOYSA-N
Smiles CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChI
InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23ClN2O2
Molecular Weight 382.89
AlogP 4.89
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 42.43
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST 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
- - - - 30
Enzyme Hydrolase
- - - - 11
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 169.82-173.78 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 290 72.44-190 37-414 15.67-64.7
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H Nuclear hormone receptor subfamily 1 group H member 4
- - - - 72.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 28.1-101.04
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 51.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 290 72.44 - 15.67-80
Cricetulus griseus
- - - - 83.88-101.04
Homo sapiens
- 169.82-290 190 311-414 11-72.5
Rattus norvegicus
- - - - 35-66.3

Target Conservation

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

Environmental Exposure

Environmental Exposure Map
Countries
Slovenia

Cross References

Resources Reference
ChEBI 6538
ChEMBL CHEMBL998
DrugBank DB00455
DrugCentral 1605
FDA SRS 7AJO3BO7QN
Human Metabolome Database HMDB0005000
Guide to Pharmacology 7216
PharmGKB PA450266
SureChEMBL SCHEMBL4596
ZINC ZINC000000537931
CONTENTS