triptorelin
| SMILES | OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)CCCNC(=N)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1nc[nH]c1 |
| InChIKey | VXKHXGOKWPXYNA-PGBVPBMZSA-N |
| Sequence | XHWSYWLRPG |
Chemical properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 18 |
| Rotatable bonds | 33 |
| Molecular weight (Da) | 1310.6 |
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 9.29 | 9.39 | 9.49 | Guide to Pharmacology |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 8.5 | 8.65 | 8.8 | Guide to Pharmacology |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pEC50 | 8.04 | 8.04 | 8.04 | Drug Central |