Compound: histrelin
SMILES: O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)NCC)CCC2)CCCNC(=N)N)CC(C)C)Cc3ncn(c3)Cc4ccccc4)Cc5ccc(O)cc5)CO)Cc6c7c(cccc7)[nH]c6)Cc8nc[nH]c8)CC1
InChIKey: HHXHVIJIIXKSOE-QILQGKCVSA-N
Synonyms: histrelin, 76712-82-8, Histrelina, Histreline, Histrelinum, ORF 17070, RWJ 17070, ORF-17070, H50H3S3W74, RWJ-17070, ((ImBl)-D-His(sub 6),Pro(sub 9)-NEt)LHRH, ORF 17070RWJ 17070, CHEBI:5739, DTXSID50227543, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide, IBHPE-LHRH, RefChem:56340, DTXCID00150034, L02AE05, imbzl-His(6), Pro(9)-NET-GNRH, ((im bzl)-D-His(6), Pro(9)-NEt)LHRH, GnRH, His(imBzl)(6)-N-Et-ProNH2(9)-, LHRH, His(imBzl)(6)-N-Et-ProNH2(9)-, 6-His(imBzl)-9-N-Et-ProNH2-10-des-GlyNH2-LHRH, LHRH, histidyl(imBzl)(6)-N-ethylprolinamide(9)-des-glycinamide(10)-, Vantaas, Vantas (TN), Histreline [French], Histrelinum [Latin], Histrelina [Spanish], Histrelin [USAN:INN], 1-9-Luteinizing hormone-releasing factor (swine), 6-[1-(phenylmethyl)-D-histidine]-9-(N-ethyl-L-prolinamide)-, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-N(tau)-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide, L-pyroglutamyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-N(im)-benzyl-histidyl-L-leucyl-L-arginyl-L-proline ethylamide, BRN 4290557, UNII-H50H3S3W74, HSDB 7657, HISTRELIN [INN], HISTRELIN [MI], Histrelin (USAN/INN), HISTRELIN [HSDB], HISTRELIN [USAN], HISTRELIN [VANDF], HISTRELIN [MART.], HISTRELIN [WHO-DD], SCHEMBL17881, 5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-N(sup tau)-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide, GTPL3884, CHEMBL1201255, SCHEMBL19409305, SCHEMBL19712198, SCHEMBL19712201, SCHEMBL22288995, SCHEMBL29405757, HY-P0056, AKOS030573448, EBC-153095, NCGC00181758-01, FH138112, CS-0015085, NS00078785, (Des-Gly10,D-His(Bzl)6,Pro-NHEt9)-LHRH, D02369, Q5871149, 5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-N~5~-(diaminomethylidene)-L-ornithyl-N-ethyl-L-prolinamide, 5-OXO-L-PROLYL-L-HISTIDYL-L-TRYPTOPHYL-L-SERYL-L-TYROSYL-NT-BENZYL-D-HISTIDYL-L-LEUCYL-L-ARGINYL-N-ETHYL-L-PROLINAMIDE, L-Prolinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-(phenylmethyl)-D-histidyl-L-leucyl-L-arginyl-N-ethyl-
Theoretical properties:
molecular_formula: C66H86N18O12
molecular_weight: 1323.5 g/mol
exact_mass: 1322.66726025 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 15
hydrogen_bond_acceptor_count: 15
rotatable_bond_count: 34
heavy_atom_count: 96
topological_polar_surface_area: 449 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Histrelin Acetate can cause developmental toxicity according to state or federal government labeling requirements.
chebi: An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, 1-benzyl-<small>D</small>-histidyl, leucyl, arginyl, and <em>N</em>-ethylprolinamide residues joined in sequence. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the diacetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty.
chembl: HISTRELIN is a protein listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Histrelin acetate, sold under the brand name Supprelin among others, is a nonapeptide analogue of gonadotropin-releasing hormone (GnRH) with added potency. When present in the bloodstream, it acts on particular cells of the pituitary gland called gonadotropes. Histrelin stimulates these cells to release luteinizing hormone and follicle-stimulating hormone. Thus it is considered a gonadotropin-releasing hormone agonist or GnRH agonist.