| Compound Information | SONAR Target prediction |
| Name: | Gadolinium (III) Chloride Hexahydrate |
| Unique Identifier: | LAT007E08 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | Cl3GdH3 |
| Molecular Weight: | 263.608 g/mol |
| X log p: | (online calculus) |
| Lipinksi Failures | |
| TPSA | |
| Hydrogen Bond Donor Count: | |
| Hydrogen Bond Acceptors Count: | |
| Rotatable Bond Count: | |
| Canonical Smiles: | [ClH-].[ClH-].[ClH-].[Gd+3] |
| Generic_name: | Cetrorelix |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA10255 |
| Drugbank_id: | APRD00686 |
| Cas_registry_number: | 120287-85-6 |
| Drug_category: | Infertility Agents; Hormone Antagonists; ATC:H01CC02 |
| Indication: | For the inhibition of premature LH surges in women undergoing controlled ovarian stimulation. |
| Pharmacology: | Cetrorelix is a synthetic decapeptide with gonadotropin-releasing hormone (GnRH) antagonistic activity. GnRH induces the production and release of luteinizing hormone (LH) and follicle stimulating hormone (FSH) from the gonadotrophic cells of the anterior pituitary. Due to a positive estradiol (E2) feedback at midcycle, GnRH liberation is enhanced resulting in an LH-surge. This LH-surge induces the ovulation of the dominant follicle, resumption of oocyte meiosis and subsequently luteinization as indicated by rising progesterone levels. Cetrorelix competes with natural GnRH for binding to membrane receptors on pituitary cells and thus controls the release of LH and FSH in a dose-dependent manner. |
| Mechanism_of_action: | Cetrorelix binds to the gonadotropin releasing hormone receptor and acts as a potent inhibitor of gonadotropin secretion. It competes with natural GnRH for binding to membrane receptors on pituitary cells and thus controls the release of LH and FSH in a dose-dependent manner. |
| Organisms_affected: | Humans and other mammals |
| Found: 1 active | as graph: single | with analogs |
| Species: | 4932 |
| Condition: | wt18h |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6744±0.0775696 |
| Normalized OD Score: sc h | 0.8076±0.0668453 |
| Z-Score: | -5.2517±0.937478 |
| p-Value: | 0.0000022306 |
| Z-Factor: | -0.368184 |
| Fitness Defect: | 13.0132 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 4388 | 1 2 3 4 5 6 7 8 9 10 Next >> [732] |
| 222 | azane |
| 223 | azanium |
| 259 | bromide |
| 260 | hydrogen bromide |
| 271 | calcium(+2) cation |
| 297 | methane |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 1 | Additional Members: 50 | Rows returned: 13 | 1 2 3 Next >> |
| LOPAC 00756 | 0 |
| SPE01503428 | 0 |
| LAT007G07 | 0 |
| Prest1291 | 0 |
| LAT007H07 | 0 |
| SPE01503692 | 0 |
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