CHEMBL4206391
SMILES | C=CCNCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(CC=C)c1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC |
InChIKey | HENPKZVJQYPDCY-HBZGSTDOSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 9 |
Rotatable bonds | 29 |
Molecular weight (Da) | 840.5 |
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 |
NTS1 | NTR1 | Human | Neurotensin | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 7.58 | 7.9 | 8.15 | ChEMBL |