BIM 23268
SMILES | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O |
InChIKey | JNMPZUZCPFIJGJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 12 |
Rotatable bonds | 14 |
Molecular weight (Da) | 1077.5 |
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 |
SST1 | SSR1 | Human | Somatostatin | A | pKi | 6.24 | 7.24 | 7.74 | PDSP Ki database |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 7.82 | 7.82 | 7.82 | PDSP Ki database |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 7.21 | 7.21 | 7.21 | PDSP Ki database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 6.76 | 7.45 | 7.79 | PDSP Ki database |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 8.66 | 9.17 | 9.43 | PDSP Ki database |
SST5 | SSR5 | Rat | Somatostatin | A | pKi | 8.47 | 8.47 | 8.47 | PDSP Ki database |
SST2 | SSR2 | Rat | Somatostatin | A | pKi | 7.0 | 7.0 | 7.0 | PDSP Ki database |
SST3 | SSR3 | Rat | Somatostatin | A | pKi | 8.39 | 8.39 | 8.39 | PDSP Ki database |
SST2 | SSR2 | Mouse | Somatostatin | A | pKi | 7.96 | 8.39 | 8.83 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |