Drug Information

Drug General Information
Drug ID
D0Y1WD
Former ID
DNC007371
Drug Name
[D-Ncy(2-naphthyl)1]acyline
Indication Discovery agent Investigative [528769]
Structure
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2D MOL

3D MOL
Formula
C79H100ClN15O14S
Canonical SMILES
CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N<br />)NC(=O)C(CC2=CC=C(C=C2)NC(=O)C)NC(=O)C(CC3=CC=C(C=C3)NC<br />(=O)C)NC(=O)C(CO)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(<br />C=C5)Cl)NC(=O)C(NC(=O)C)SC6=CC7=CC=CC=C7C=C6
InChI
1S/C79H100ClN15O14S/c1-45(2)37-62(70(101)88-61(18-11-12-35-83-46(3)4)79(109)95-36-14-19-68(95)76(107)84-47(5)69(81)100)89-71(102)63(39-52-22-29-58(30-23-52)85-48(6)97)90-72(103)64(40-53-24-31-59(32-25-53)86-49(7)98)92-75(106)67(44-96)94-74(105)66(41-54-15-13-34-82-43-54)91-73(104)65(38-51-20-27-57(80)28-21-51)93-77(108)78(87-50(8)99)110-60-33-26-55-16-9-10-17-56(55)42-60/h9-10,13,15-17,20-34,42-43,45-47,61-68,78,83,96H,11-12,14,18-19,35-41,44H2,1-8H3,(H2,81,100)(H,84,107)(H,85,97)(H,86,98)(H,87,99)(H,88,101)(H,89,102)(H,90,103)(H,91,104)(H,92,106)(H,93,108)(H,94,105)/t47-,61+,62+,63-,64+,65-,66-,67+,68+,78-/m1/s1
InChIKey
JRWSZLDRIJBUBZ-GJCYDJOFSA-N
PubChem Compound ID
16221104
Target and Pathway
Target(s) Gonadotropin-releasing hormone receptor Target Info Inhibitor [528769]
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 528769J Med Chem. 2007 May 3;50(9):2067-77. Epub 2007 Apr 3.Structure-activity relationship studies of gonadotropin-releasing hormone antagonists containing S-aryl/alkyl norcysteines and their oxidized derivatives.
Ref 528769J Med Chem. 2007 May 3;50(9):2067-77. Epub 2007 Apr 3.Structure-activity relationship studies of gonadotropin-releasing hormone antagonists containing S-aryl/alkyl norcysteines and their oxidized derivatives.

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