Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0S9JH
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| Former ID |
DNC001098
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| Drug Name |
PD142893
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| Synonyms |
PD 142893; PD-142893; CHEMBL438194; 143037-36-9; Ac-Dip-leu-asp-ile-ile-trp; Acetyldiphenylalanyl-leucyl-aspartyl-isoleucyl-isoleucyl-tryptophan; AC1L3U2Y; DTXSID40162297; IFDNLSRYZKUGIR-KXXXQFFTSA-N; BDBM50001218; N-(N-(N-(N-(N-(N-Acetyl-3-(1,1'-biphenyl)-4-yl-D-alanyl)-L-leucyl)-L-alpha-aspartyl)-L-isoleucyl)-L-isoleucyl)-L-tryptophan; Ac-3-(1,1'-Biphenyl-4-yl)-D-Ala-L-Leu-L-Asp-L-Ile-L-Ile-L-Trp-OH; L-Tryptophan, N-(N-(N-(N-(N-(N-acetyl-3-(1,1'-biphenyl)-4-yl-D-alanyl)-L-leucyl)-L-alpha-aspartyl)-L-isoleucyl)-L-isol
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| Drug Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C50H65N7O10
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| Canonical SMILES |
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)C
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| InChI |
1S/C50H65N7O10/c1-8-29(5)43(48(64)55-41(50(66)67)25-35-27-51-37-18-14-13-17-36(35)37)57-49(65)44(30(6)9-2)56-47(63)40(26-42(59)60)54-45(61)38(23-28(3)4)53-46(62)39(52-31(7)58)24-32-19-21-34(22-20-32)33-15-11-10-12-16-33/h10-22,27-30,38-41,43-44,51H,8-9,23-26H2,1-7H3,(H,52,58)(H,53,62)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H,59,60)(H,66,67)/t29-,30-,38-,39+,40-,41-,43-,44-/m0/s1
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| InChIKey |
IFDNLSRYZKUGIR-KXXXQFFTSA-N
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| CAS Number |
CAS 143037-36-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Endothelin A receptor (EDNRA) | Target Info | Antagonist | [1] |
| Endothelin B receptor (EDNRB) | Target Info | Antagonist | [1] | |
| KEGG Pathway | Calcium signaling pathway | |||
| cGMP-PKG signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Melanogenesis | ||||
| Pathways in cancer | ||||
| cAMP signaling pathway | ||||
| Vascular smooth muscle contraction | ||||
| Renin secretion | ||||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Panther Pathway | Endothelin signaling pathway | |||
| Pathway Interaction Database | Endothelins | |||
| Arf6 trafficking events | ||||
| EGFR-dependent Endothelin signaling events | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Prostaglandin Synthesis and Regulation | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Human optic nerve head astrocytes as a target for endothelin-1. Invest Ophthalmol Vis Sci. 2002 Aug;43(8):2704-13. | |||
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