Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0C5XC
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| Former ID |
DAP000322
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| Drug Name |
Clemastine
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| Synonyms |
Clemastina; Clemastinum; Meclastin; Meclastine; Mecloprodin; Tavegyl; Tavist; CLEMASTINE FUMARATE; HS 592; Clemastina [INN-Spanish]; Clemastine [USAN:BAN]; Clemastinum [INN-Latin]; HS-592; Tavegyl (TN); Tavist (TN); Tavist (*Fumarate*); (+)-(2R)-2-(2-(((R)-p-Chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine; (+)-(2R)-2-[2-[[(R)-p-Chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine; (2R)-2-(2-{[(1R)-1-(4-chlorophenyl)-1-phenylethyl]oxy}ethyl)-1-methylpyrrolidine; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine; (2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine; 2(R)-[2-[(1R)-(4-Chlorophenyl)-1-phenyl-ethoxy]ethyl-1-methylpyrrolidine; 2-(2-(4-Chlor-alpha-methylbenzhydryloxy)ethyl)-1-methylpyrrolidin
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| Drug Type |
Small molecular drug
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| Indication | Allergic rhinitis [ICD-11: CA08.0] | Approved | [1], [2] | |
| Therapeutic Class |
Antiallergic Agents
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| Company |
Norvatis Phamaceuticals Corporation
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| Structure |
 |
Download2D MOL |
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| Formula |
C21H26ClNO
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| Canonical SMILES |
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C
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| InChI |
1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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| InChIKey |
YNNUSGIPVFPVBX-NHCUHLMSSA-N
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| CAS Number |
CAS 15686-51-8
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| PubChem Compound ID | ||||
| PubChem Substance ID |
597386, 7978959, 8169501, 11111002, 11112618, 11114089, 11335460, 11360699, 11371365, 11374708, 11461671, 11466334, 11467454, 11484553, 11486227, 11488505, 11490169, 11492770, 14875878, 34669560, 46506492, 47216681, 47440147, 48035000, 48035001, 48035002, 48334381, 48334382, 48415792, 49698428, 50038481, 50297783, 85788464, 92308858, 92729734, 93166549, 96079549, 103605085, 104105756, 104298787, 117462440, 124882478, 135021180, 136018285, 137001887, 141654852, 152146162, 160963631, 162180590, 162224684
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| ChEBI ID |
CHEBI:3738
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| ADReCS Drug ID | BADD_D00481 | |||
| SuperDrug ATC ID |
D04AA14; R06AA04
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| SuperDrug CAS ID |
cas=015686518
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bacteroidales | ||||
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Studied Microbe: Bacteroides cellulosilyticus DSM 14838
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides cellulosilyticus DSM 14838 (log2FC = -0.419; p = 0.037). | |||
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Studied Microbe: Bacteroides coprophilus DSM 18228
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides coprophilus DSM 18228 (log2FC = -0.661; p = 0.035). | |||
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Studied Microbe: Bacteroides dorei DSM 17855
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides dorei DSM 17855 (log2FC = -0.819; p = 0.002). | |||
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Studied Microbe: Bacteroides eggerthii DSM20697
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides eggerthii DSM20697 (log2FC = -0.666; p = 0.015). | |||
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Studied Microbe: Bacteroides fragilis HMW 610
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides fragilis HMW 610 (log2FC = -0.526; p = 0.01). | |||
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Studied Microbe: Bacteroides fragilis NCTC 9343
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides fragilis NCTC 9343 (log2FC = -0.711; p = 0.006). | |||
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Studied Microbe: Bacteroides fragilis str. 3397 T10
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides fragilis str. 3397 T10 (log2FC = -0.489; p = 0.044). | |||
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Studied Microbe: Bacteroides fragilis str. DS-208
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides fragilis str. DS-208 (log2FC = -0.664; p = 0.001). | |||
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Studied Microbe: Bacteroides stercoris ATCC 43183
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides stercoris ATCC 43183 (log2FC = -0.506; p = 0.03). | |||
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Studied Microbe: Bacteroides thetaiotaomicron 7330
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides thetaiotaomicron 7330 (log2FC = -0.391; p = 0.041). | |||
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Studied Microbe: Bacteroides uniformis ATCC 8492
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides uniformis ATCC 8492 (log2FC = -0.963; p = 0.001). | |||
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Studied Microbe: Bacteroides vulgatus ATCC 8482
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides vulgatus ATCC 8482 (log2FC = -0.79; p = 0.004). | |||
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Studied Microbe: Bacteroides xylanisolvens DSM18836
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides xylanisolvens DSM18836 (log2FC = -0.449; p = 0.007). | |||
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Studied Microbe: Odoribacter splanchnicus
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Odoribacter splanchnicus (log2FC = -0.664; p = 0.003). | |||
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Studied Microbe: Parabacteroides distasonis ATCC 8503
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Parabacteroides distasonis ATCC 8503 (log2FC = -0.77; p = 0.004). | |||
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Studied Microbe: Pretovella copri DSM 18205
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Pretovella copri DSM 18205 (log2FC = -0.575; p = 0.018). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Enterobacterales | ||||
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Studied Microbe: Escherichia coli BW25113
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Escherichia coli BW25113 (log2FC = -0.613; p = 0.04). | |||
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Studied Microbe: Providencia rettgeri DSM 1131
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Providencia rettgeri DSM 1131 (log2FC = -0.404; p = 0.044). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Erysipelotrichales | ||||
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Studied Microbe: Eubacterium biforme DSM 3989
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Eubacterium biforme DSM 3989 (log2FC = -0.455; p = 0.039). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Bacteroides pectinophilus ATCC 43243
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Bacteroides pectinophilus ATCC 43243 (log2FC = -0.341; p = 0.009). | |||
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Studied Microbe: Blautia hansenii DSM20583
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Blautia hansenii DSM20583 (log2FC = -0.644; p = 0.047). | |||
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Studied Microbe: Clostridium sp.
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Clostridium sp. (log2FC = -0.638; p = 0.001). | |||
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Studied Microbe: Roseburia intestinalis L1-82
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Clemastine fumarate can be metabolized by Roseburia intestinalis L1-82 (log2FC = -0.46; p = 0.015). | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histamine H1 receptor (H1R) | Target Info | Antagonist | [4], [5] |
| 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: 6063). | |||
| REF 2 | FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 073283. | |||
| REF 3 | Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467. | |||
| REF 4 | Histamine upregulates keratinocyte MMP-9 production via the histamine H1 receptor. J Invest Dermatol. 2008 Dec;128(12):2783-91. | |||
| REF 5 | Stereoselective synthesis of (-)-hydroxyclemastine as a versatile intermediate for the H1 receptor antagonist clemastine. Arch Pharm Res. 2007 Dec;30(12):1521-5. | |||
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