Drug Information

Drug General Information
Drug ID
D06QQS
Former ID
DNC000753
Drug Name
Hydroxyclemastine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [536618], [536744]
Structure
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2D MOL

3D MOL
Formula
C25H30ClNO5
Canonical SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCC[NH+]3C.C(=CC(=<br />O)[O-])C(=O)O
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
InChIKey
PMGQWSIVQFOFOQ-YKVZVUFRSA-N
CAS Number
CAS 15686-51-8
PubChem Compound ID
6426695
PubChem Substance ID
11619404, 50809824, 114525997, 134340094
Target and Pathway
Target(s) Histamine H1 receptor Target Info Antagonist [536618], [536744]
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
Ref 536618Stereoselective synthesis of (-)-hydroxyclemastine as a versatile intermediate for the H1 receptor antagonist clemastine. Arch Pharm Res. 2007 Dec;30(12):1521-5.
Ref 536744Histamine upregulates keratinocyte MMP-9 production via the histamine H1 receptor. J Invest Dermatol. 2008 Dec;128(12):2783-91. Epub 2008 Jun 12.
Ref 536618Stereoselective synthesis of (-)-hydroxyclemastine as a versatile intermediate for the H1 receptor antagonist clemastine. Arch Pharm Res. 2007 Dec;30(12):1521-5.
Ref 536744Histamine upregulates keratinocyte MMP-9 production via the histamine H1 receptor. J Invest Dermatol. 2008 Dec;128(12):2783-91. Epub 2008 Jun 12.

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