CHEMBL5171551
SMILES | CC(C)C[C@H](NC(=O)[C@@H](CCSSCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O |
InChIKey | GJIFCEKRNNRBMK-CEIPDFQMSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 14 |
Rotatable bonds | 28 |
Molecular weight (Da) | 895.5 |
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 | Human | Neurotensin | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pKi | 7.82 | 8.05 | 8.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |