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iGMDRD69

Canonical SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6

InChI: InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)

InChI Key: XLXSAKCOAKORKW-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Dirigestran	CHEMBL1981292	36523	D08027	DB00644	Alone	DAP001052	Small Molecule

Drug Class:

Amino Acids, Peptides, and Proteins Diagnostic Agents Gonadotropin-releasing hormone agonist Gonadotropin-releasing hormone Agonists Gonadotropins Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hypothalamic Hormones Nerve Tissue Proteins Neuropeptides Oligopeptides Peptide Hormones Peptides Pituitary and Hypothalamic Hormones and Analogues Pituitary Function Pituitary Hormone-Releasing Hormones Proteins Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins Tests for Fertility Disturbances

Drug Targets:

GNRHR (P30968)GNRHR2 (Q96P88)

Drug Pathways:

Neuroactive ligand-receptor interaction GnRH signaling pathway

Drug Synonyms:

Gonadorelin (INN)Fertagyl (TN)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
374	AREG	1

Gene in drug-gene network: Network Plot

Models in Dirigestran

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