SB 218795
SMILES | COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1 |
InChIKey | IUMQXQJZIHWLIN-HSZRJFAPSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 396.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H1 | HRH1 | Human | Histamine | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.86 | 5.86 | 5.86 | PDSP Ki database |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |