Drug Information
Drug General Information | Top | |||
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Drug ID |
D06DRC
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Former ID |
DNC010599
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Drug Name |
[Sar1,Tdf3]AngII
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Synonyms |
CHEMBL1076604; [Sar1,Tdf3]AngII
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C55H70F3N15O10
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Canonical SMILES |
CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)C6(N=N6)C(F)(F)F)NC(=O)C(CCCN=C(N)N)NC(=O)CNC
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InChI |
1S/C55H70F3N15O10/c1-4-31(2)45(50(80)68-41(27-36-28-62-30-64-36)51(81)73-23-9-13-43(73)49(79)69-42(52(82)83)26-32-10-6-5-7-11-32)70-48(78)40(25-34-16-20-37(74)21-17-34)67-47(77)39(24-33-14-18-35(19-15-33)54(71-72-54)55(56,57)58)66-46(76)38(65-44(75)29-61-3)12-8-22-63-53(59)60/h5-7,10-11,14-21,28,30-31,38-43,45,61,74H,4,8-9,12-13,22-27,29H2,1-3H3,(H,62,64)(H,65,75)(H,66,76)(H,67,77)(H,68,80)(H,69,79)(H,70,78)(H,82,83)(H4,59,60,63)/t31-,38-,39-,40-,41-,42-,43-,45-/m0/s1
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InChIKey |
SMLIEFKCEBMVHX-YUDJOFGFSA-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 | Inhibitor | [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 | The amino-terminus of angiotensin II contacts several ectodomains of the angiotensin II receptor AT1. J Med Chem. 2010 Mar 11;53(5):2063-75. |
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