Drug Information
Drug General Information | Top | |||
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Drug ID |
D04FQA
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Former ID |
DNC000070
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Drug Name |
4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C21H25NO2
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Canonical SMILES |
CC1=CC=C(C=C1)C(=O)C2CN(CCC2(C3=CC=C(C=C3)C)O)C
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InChI |
1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3
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InChIKey |
SWFNNRQTSSTAGB-UHFFFAOYSA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Angiotensin II receptor type-1 (AGTR1) | Target Info | Antagonist | [1] |
KEGG Pathway | Calcium signaling pathway | |||
cGMP-PKG signaling pathway | ||||
Neuroactive ligand-receptor interaction | ||||
Adrenergic signaling in cardiomyocytes | ||||
Vascular smooth muscle contraction | ||||
Renin-angiotensin system | ||||
Renin secretion | ||||
Pathways in cancer | ||||
NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
Panther Pathway | Angiotensin II-stimulated signaling through G proteins and beta-arrestin | |||
Pathwhiz Pathway | Angiotensin Metabolism | |||
Muscle/Heart Contraction | ||||
Pathway Interaction Database | Arf6 trafficking events | |||
Arf6 signaling events | ||||
Angiopoietin receptor Tie2-mediated signaling | ||||
Reactome | Peptide ligand-binding receptors | |||
G alpha (q) signalling events | ||||
WikiPathways | ACE Inhibitor Pathway | |||
GPCRs, Class A Rhodopsin-like | ||||
Gastrin-CREB signalling pathway via PKC and MAPK | ||||
Peptide GPCRs | ||||
Allograft Rejection | ||||
GPCR ligand binding | ||||
GPCR downstream signaling |
References | Top | |||
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REF 1 | Discovery of a novel dopamine transporter inhibitor, 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone, as a potential cocaine antagonist through 3D-database pharmacophore searching. Molecular modeling, structure-activity relationships, and behavioral pharmacological studies. J Med Chem. 2000 Feb 10;43(3):351-60. |
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