Drug Information
Drug General Information | Top | |||
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Drug ID |
D0K0TY
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Former ID |
DIB020466
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Drug Name |
N,N`-bis-alkyl butylimmidazole 12b
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Synonyms |
compound 12b [PMID: 23376252]
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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 |
C35H31BrN10Na2
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Canonical SMILES |
CCCCC1=C(NC=[N+]1CC2=CC=C(C=C2)C3=CC=CC=C3C4=N[N-]N=N4)CC5=CC=C(C=C5)C6=CC=CC=C6C7=N[N-]N=N7.[Na+].[Na+].[Br-]
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InChI |
1S/C35H30N10.BrH.2Na/c1-2-3-12-33-32(21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34)36-23-45(33)22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35;;;/h4-11,13-20,23H,2-3,12,21-22H2,1H3;1H;;/q-2;;2*+1
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InChIKey |
JJOQDSLKSULNDS-UHFFFAOYSA-N
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PubChem Compound ID | ||||
PubChem Substance 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 | Rational design, efficient syntheses and biological evaluation of N,N'-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers. Eur J Med Chem. 2013 Apr;62:352-70. |
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