Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U7QE
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| Former ID |
DNC010603
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| Drug Name |
[Tdf1]AngII
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| Synonyms |
CHEMBL1076613; [Tdf1]AngII
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C57H74F3N15O10
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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(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC5=CC=C(C=C5)C6(N=N6)C(F)(F)F)N
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| InChI |
1S/C57H74F3N15O10/c1-5-32(4)46(52(82)69-42(28-37-29-64-30-66-37)53(83)75-24-10-14-44(75)50(80)70-43(54(84)85)27-33-11-7-6-8-12-33)72-49(79)41(26-35-17-21-38(76)22-18-35)68-51(81)45(31(2)3)71-48(78)40(13-9-23-65-55(62)63)67-47(77)39(61)25-34-15-19-36(20-16-34)56(73-74-56)57(58,59)60/h6-8,11-12,15-22,29-32,39-46,76H,5,9-10,13-14,23-28,61H2,1-4H3,(H,64,66)(H,67,77)(H,68,81)(H,69,82)(H,70,80)(H,71,78)(H,72,79)(H,84,85)(H4,62,63,65)/t32-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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| InChIKey |
OGNWPDVTXMDCHR-PYRLQILWSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| 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 | |||
|---|---|---|---|---|
| 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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