Drug Information

Drug General Information
Drug ID
D0O5VA
Former ID
DNC006044
Drug Name
PGlu-His-Trp-Ser-His-D-Tyr-Leu-Arg-Pro-Gly-NH2
Indication Discovery agent Investigative [527975]
Structure
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2D MOL

3D MOL
Formula
C55H76N16O15
Canonical SMILES
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)O)NC<br />(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC<br />4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C(CCC(=O)O)N
InChI
1S/C55H76N16O15/c1-29(2)19-38(49(81)66-37(9-5-17-60-55(57)58)54(86)71-18-6-10-43(71)53(85)63-26-46(77)78)65-44(74)25-62-48(80)39(20-30-11-13-33(73)14-12-30)68-52(84)42(27-72)70-50(82)40(21-31-23-61-36-8-4-3-7-34(31)36)69-51(83)41(22-32-24-59-28-64-32)67-47(79)35(56)15-16-45(75)76/h3-4,7-8,11-14,23-24,28-29,35,37-43,61,72-73H,5-6,9-10,15-22,25-27,56H2,1-2H3,(H,59,64)(H,62,80)(H,63,85)(H,65,74)(H,66,81)(H,67,79)(H,68,84)(H,69,83)(H,70,82)(H,75,76)(H,77,78)(H4,57,58,60)/t35-,37-,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey
HLUQDWRHBPWVNT-LVHVEONVSA-N
PubChem Compound ID
9833530
Target and Pathway
Target(s) Gonadotropin-releasing hormone receptor Target Info Inhibitor [527975]
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 527975J Med Chem. 2006 Jan 26;49(2):637-47.Overlapping, nonidentical binding sites of different classes of nonpeptide antagonists for the human gonadotropin-releasing hormone receptor.
Ref 527975J Med Chem. 2006 Jan 26;49(2):637-47.Overlapping, nonidentical binding sites of different classes of nonpeptide antagonists for the human gonadotropin-releasing hormone receptor.

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