Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0I9JL
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| Former ID |
DNC007369
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| Drug Name |
[Ncy(methyl)4]acyline
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| Synonyms |
CHEMBL388369; [Ncy(methyl)4]acyline
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C80H102ClN15O13S
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC(=O)C)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C)NC(=O)C(NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C)SC
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| InChI |
1S/C80H102ClN15O13S/c1-46(2)38-63(71(101)89-62(19-12-13-36-84-47(3)4)80(109)96-37-15-20-69(96)77(107)85-48(5)70(82)100)90-73(103)66(41-53-24-31-60(32-25-53)86-49(6)97)92-75(105)67(42-54-26-33-61(34-27-54)87-50(7)98)94-78(108)79(110-9)95-76(106)68(44-56-16-14-35-83-45-56)93-74(104)65(40-52-22-29-59(81)30-23-52)91-72(102)64(88-51(8)99)43-55-21-28-57-17-10-11-18-58(57)39-55/h10-11,14,16-18,21-35,39,45-48,62-69,79,84H,12-13,15,19-20,36-38,40-44H2,1-9H3,(H2,82,100)(H,85,107)(H,86,97)(H,87,98)(H,88,99)(H,89,101)(H,90,103)(H,91,102)(H,92,105)(H,93,104)(H,94,108)(H,95,106)/t48-,62+,63+,64-,65-,66-,67+,68-,69+,79+/m1/s1
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| InChIKey |
HPTFWQIEIVLQOX-CYCWPGSHSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gonadotropin-releasing hormone receptor (GNRHR) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity relationship studies of gonadotropin-releasing hormone antagonists containing S-aryl/alkyl norcysteines and their oxidized deriv... J Med Chem. 2007 May 3;50(9):2067-77. | |||
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