CHEMBL4786197
SMILES | CN[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC(C)(C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O |
InChIKey | LIHNVBFOGLATFW-VEIVPZTASA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 10 |
Rotatable bonds | 14 |
Molecular weight (Da) | 816.4 |
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 | Mouse | Neurotensin | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |