Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04UJZ
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| Former ID |
DIB018148
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| Drug Name |
[125I]CGP42112
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| Synonyms |
UXGNARZDONUMMK-LRMQDCNJSA-N; Cgp-42112A; Cgp 42112; 127060-75-7; CGP 42112A; CGP-42112; Cgp 42112B; CGP42112A; Nicotinic acid-tyr-(N(sigma)-benzyloxycarbonyl-arg)lys-his-pro-ile-OH; Nicotinic acid-tyrosyl-(N(sigma)-benzyloxycarbonyl-arginyl)lysyl-histidyl-prolyl-isoleucine-OH; L-Isoleucine, N-(1-(N-(N6-(N2-((phenylmethoxy)carbonyl)-L-arginyl)-N2-(N-(3-pyridinylcarbonyl)-L-tyrosyl)-L-lysyl)-L-histidyl)-L-prolyl)-; CGP42112; Cgp 42112B; [125I]-CGP42112
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C52H69N13O11
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| Canonical SMILES |
CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CN=CN2)NC(=O)C(CCCCNC(=O)C(CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C5=CN=CC=C5
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| InChI |
1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)/t32-,38-,39-,40-,41-,42-,43-/m0/s1
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| InChIKey |
UXGNARZDONUMMK-LRMQDCNJSA-N
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| CAS Number |
CAS 127060-75-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:147302
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Angiotensin II receptor type-2 (AGTR2) | Target Info | Agonist | [3], [4] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Adrenergic signaling in cardiomyocytes | ||||
| Renin-angiotensin system | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | ACE Inhibitor Pathway | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 594). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3944). | |||
| REF 3 | Radioiodinated CGP 42112A: a novel high affinity and highly selective ligand for the characterization of angiotensin AT2 receptors. Biochem Biophys Res Commun. 1991 Dec 31;181(3):1365-71. | |||
| REF 4 | Relative affinity of angiotensin peptides and novel ligands at AT1 and AT2 receptors. Clin Sci (Lond). 2011 Oct;121(7):297-303. | |||
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