CHEMBL3314224
SMILES | CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |
InChIKey | BDPDXFSIFWZPCE-PHOVXGMNSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 19 |
Rotatable bonds | 33 |
Molecular weight (Da) | 1297.6 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
kisspeptin | KISSR | Rat | Kisspeptin | A | pKi | 10.16 | 10.16 | 10.16 | ChEMBL |
kisspeptin | KISSR | Human | Kisspeptin | A | pKi | 10.44 | 10.44 | 10.44 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
kisspeptin | KISSR | Rat | Kisspeptin | A | pEC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
kisspeptin | KISSR | Human | Kisspeptin | A | pEC50 | 9.48 | 9.48 | 9.48 | ChEMBL |