CHEMBL1200171
SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(=O)O |
InChIKey | NWPZHWJQSGWXSJ-BJAKLJBYSA-O |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 9 |
Rotatable bonds | 22 |
Molecular weight (Da) | 816.5 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS2 | NTR2 | Rat | Neurotensin | A | pKd | 7.63 | 7.63 | 7.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS2 | NTR2 | Human | Neurotensin | A | pEC50 | 7.27 | 7.27 | 7.27 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 7.97 | 7.97 | 7.97 | ChEMBL |
NTS1 | NTR1 | Rat | Neurotensin | A | pEC50 | 7.55 | 7.55 | 7.55 | ChEMBL |