CHEMBL3314221
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](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |
InChIKey | GGZHOQFHYIJVMH-LHMBHGAWSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 18 |
Rotatable bonds | 30 |
Molecular weight (Da) | 1212.6 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
kisspeptin | KISSR | Rat | Kisspeptin | A | pEC50 | 7.89 | 7.89 | 7.89 | ChEMBL |
kisspeptin | KISSR | Human | Kisspeptin | A | pEC50 | 9.2 | 9.2 | 9.2 | ChEMBL |