Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Z1WW
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| Former ID |
DIB018110
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| Drug Name |
(S)-cetirizine
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| Synonyms |
UNII-V57G6B5I8Z; V57G6B5I8Z; 130018-76-7; (2-{4-[(S)-(4-Chlorophenyl)(Phenyl)methyl]piperazin-1-Yl}ethoxy)acetic Acid; Dextrocetirizine Dihydrochloride; 2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid; Dextrocetirizine; (s)cetirizine; Cetirizine, (S)-; (S)-dextrocetirizine; Cetirizine (+) isomer; NCGC00016949-01; CAS-83881-52-1; GTPL1215; SCHEMBL5526985; AC1L44V3; (+)-Cetirizine Dihydrochloride; CHEMBL1334217; BDBM85029; (S)-(+)-DEXTROCETIRIZINE; ZINC19364229
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C21H25ClN2O3
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| Canonical SMILES |
C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
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| InChI |
1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1
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| InChIKey |
ZKLPARSLTMPFCP-NRFANRHFSA-N
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| CAS Number |
CAS 130018-76-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histamine H1 receptor (H1R) | Target Info | Antagonist | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Inflammatory mediator regulation of TRP channels | ||||
| Panther Pathway | Histamine H1 receptor mediated signaling pathway | |||
| Reactome | Histamine receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Monoamine GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| IL-4 Signaling Pathway | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1215). | |||
| REF 2 | Large-scale overproduction, functional purification and ligand affinities of the His-tagged human histamine H1 receptor. Eur J Biochem. 2004 Jul;271(13):2636-46. | |||
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