CHEMBL440436
| SMILES | CC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1CC(=O)N(CC(N)=O)C(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCC(=O)O)NC1=O |
| InChIKey | BYKKKXQKCFIVJX-SZHCBFCVSA-N |
Chemical properties
| Hydrogen bond acceptors | 16 |
| Hydrogen bond donors | 13 |
| Rotatable bonds | 27 |
| Molecular weight (Da) | 1250.6 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pKi | 9.49 | 9.49 | 9.49 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |