MK 678
SMILES | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O |
InChIKey | FIKSSPSBVSPVFU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 9 |
Rotatable bonds | 11 |
Molecular weight (Da) | 868.4 |
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 |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.31 | 6.5 | 8.19 | PDSP Ki database |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 6.0 | 7.71 | 8.7 | PDSP Ki database |
SST4 | SSR4 | Rat | Somatostatin | A | pKi | 8.14 | 8.2 | 8.26 | PDSP Ki database |
SST1 | SSR1 | Human | Somatostatin | A | pKi | 5.0 | 5.8 | 6.0 | PDSP Ki database |
SST5 | SSR5 | Rat | Somatostatin | A | pKi | 7.14 | 7.7 | 8.26 | PDSP Ki database |
SST3 | SSR3 | Mouse | Somatostatin | A | pKi | 6.57 | 7.47 | 7.92 | PDSP Ki database |
SST4 | SSR4 | Mouse | Somatostatin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
SST2 | SSR2 | Mouse | Somatostatin | A | pKi | 7.06 | 9.32 | 10.15 | PDSP Ki database |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 8.82 | 9.84 | 10.3 | PDSP Ki database |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 6.57 | 7.25 | 7.7 | PDSP Ki database |
SST2 | SSR2 | Rat | Somatostatin | A | pKi | 9.32 | 9.32 | 9.32 | PDSP Ki database |
SST3 | SSR3 | Rat | Somatostatin | A | pKi | 7.35 | 7.35 | 7.35 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |