CHEMBL133798
SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NC(=O)[C@@H](N)CCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O |
InChIKey | MNPDUJGZIRLSLW-CIYBFAGOSA-O |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 10 |
Rotatable bonds | 24 |
Molecular weight (Da) | 831.5 |
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 |
NTS2 | NTR2 | Human | Neurotensin | A | pIC50 | 8.49 | 8.49 | 8.49 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pIC50 | 8.8 | 8.8 | 8.8 | ChEMBL |