CHEMBL4595550
SMILES | CC[C@H](C)[C@H](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)NC(=O)NCCOCCOCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C)C(=O)N[C@@H](CC(C)C)C(=O)O |
InChIKey | QPFGVFNEELWSII-DGZSVBCJSA-O |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 14 |
Rotatable bonds | 37 |
Molecular weight (Da) | 1252.8 |
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 | 8.89 | 9.0 | 9.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |