Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06QQS
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| Former ID |
DNC000753
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| Drug Name |
Hydroxyclemastine
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| Synonyms |
AC1O52GA; (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidin-1-ium
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C25H30ClNO5
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| Canonical SMILES |
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCC[NH+]3C.C(=CC(=O)[O-])C(=O)O
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| InChI |
1S/C21H26ClNO.C4H4O4/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;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1
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| InChIKey |
PMGQWSIVQFOFOQ-YKVZVUFRSA-N
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| CAS Number |
CAS 14976-57-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histamine H1 receptor (H1R) | Target Info | Antagonist | [1], [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 | Histamine upregulates keratinocyte MMP-9 production via the histamine H1 receptor. J Invest Dermatol. 2008 Dec;128(12):2783-91. | |||
| REF 2 | 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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