CHEMBL4289739
SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(c2)CC=CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O |
InChIKey | PJDKVHXZLHUPET-FGAZXPGLSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 7 |
Rotatable bonds | 13 |
Molecular weight (Da) | 782.5 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 5.86 | 6.32 | 6.78 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |