histrelin [3959]
histrelin
| SMILES | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |
| InChIKey | HHXHVIJIIXKSOE-QILQGKCVSA-N |
| Sequence | XHWSYHLRP |
Chemical Properties
| Hydrogen bond acceptors | 16 |
| Hydrogen bond donors | 15 |
| Rotatable bonds | 34 |
| Log P | -0.997 |
| Molecular weight (Da) | 1322.7 |
| Stereochemistry info | unspecified |
Database connections
| Model (Boltz2) | GnRH1 |
No bioactivity data available.
histrelin
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
3
Database connections
| Model (Boltz2) | GnRH1 |
Sankey plot
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Drug Information
| Target | Disease | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Gene | Protein | Receptor family | Ligand type | Class | Name | Phase | ICD11 | ATC | Association score |