J-2156
SMILES | NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C |
InChIKey | VTNCZBXJSGKDLS-SFTDATJTSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 468.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7XMT |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 8.92 | 8.92 | 8.92 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |