L-796,778
SMILES | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
InChIKey | KEATTYUTWJKTRT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 5 |
Rotatable bonds | 17 |
Molecular weight (Da) | 584.3 |
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 |
SST1 | SSR1 | Human | Somatostatin | A | pKi | 5.0 | 5.6 | 5.9 | PDSP Ki database |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 6.9 | 7.47 | 7.74 | PDSP Ki database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.0 | 5.04 | 5.06 | PDSP Ki database |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 5.0 | 5.61 | 5.92 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |