Drug Information
Drug General Information | Top | |||
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Drug ID |
D0M2TB
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Former ID |
DNC011540
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Drug Name |
Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Val-Tyr-Phe-Cys)
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Synonyms |
CHEMBL408141
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C71H97N15O17S2
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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=CN=CN3)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC5=CC=CC=C5)CC6=CC=C(C=C6)O)C(C)C)CO)N
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InChI |
1S/C71H97N15O17S2/c1-9-38(7)58(69(100)81-53(71(102)103)27-42-30-74-47-19-15-14-18-45(42)47)86-70(101)59(39(8)10-2)85-65(96)52(29-56(89)90)79-61(92)48(24-36(3)4)76-64(95)51(28-43-31-73-35-75-43)78-67(98)55-34-105-104-33-46(72)60(91)82-54(32-87)66(97)84-57(37(5)6)68(99)80-50(26-41-20-22-44(88)23-21-41)62(93)77-49(63(94)83-55)25-40-16-12-11-13-17-40/h11-23,30-31,35-39,46,48-55,57-59,74,87-88H,9-10,24-29,32-34,72H2,1-8H3,(H,73,75)(H,76,95)(H,77,93)(H,78,98)(H,79,92)(H,80,99)(H,81,100)(H,82,91)(H,83,94)(H,84,97)(H,85,96)(H,86,101)(H,89,90)(H,102,103)/t38-,39-,46-,48-,49-,50+,51-,52-,53-,54-,55+,57-,58-,59-/m0/s1
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InChIKey |
NFALCSTYLUFIHX-TWAFHRHTSA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Endothelin A receptor (EDNRA) | Target Info | Inhibitor | [1] |
Endothelin B receptor (EDNRB) | Target Info | Inhibitor | [1] | |
KEGG Pathway | Calcium signaling pathway | |||
cGMP-PKG signaling pathway | ||||
cAMP signaling pathway | ||||
Neuroactive ligand-receptor interaction | ||||
Vascular smooth muscle contraction | ||||
Renin secretion | ||||
Pathways in cancer | ||||
Melanogenesis | ||||
NetPath Pathway | IL4 Signaling Pathway | |||
Panther Pathway | Endothelin signaling pathway | |||
Pathway Interaction Database | Endothelins | |||
EGFR-dependent Endothelin signaling events | ||||
Arf6 trafficking 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 | |||
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REF 1 | Structure-activity relationships in a series of monocyclic endothelin analogues, Bioorg. Med. Chem. Lett. 4(4):567-572 (1994). |
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