L-817,818
SMILES | CC(COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)N |
InChIKey | NFVRGDRCCNEGBS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 536.3 |
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 | 8.48 | 8.48 | 8.48 | PDSP Ki database |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 7.19 | 7.19 | 7.19 | PDSP Ki database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 7.09 | 7.09 | 7.09 | PDSP Ki database |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 8.89 | 9.23 | 9.4 | PDSP Ki database |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 7.28 | 7.28 | 7.28 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |