Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04LMF
|
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| Former ID |
DIB018145
|
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| Drug Name |
[125I]cetrorelix
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C70H92IN17O14
|
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| InChI |
InChI=1S/C70H92IN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1/i71-2
|
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| InChIKey |
MVDPNTCYCFVFOX-SZENRQNHSA-N
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Gonadotropin-releasing hormone receptor | Target Info | Antagonist | [2] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| GnRH signaling pathway | |||||
| NetPath Pathway | IL1 Signaling Pathway | ||||
| IL2 Signaling Pathway | |||||
| PANTHER Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Reactome | Hormone ligand-binding receptors | ||||
| G alpha (q) signalling events | |||||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signaling | |||||
| GPCRs, Other | |||||
| References | |||||
| REF 1 | (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: 1186). | ||||
| REF 2 | Residues within transmembrane helices 2 and 5 of the human gonadotropin-releasing hormone receptor contribute to agonist and antagonist binding. Mol Endocrinol. 2000 Jul;14(7):1099-115. | ||||
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