CHEMBL176313
SMILES | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(OC(F)(F)F)cc1 |
InChIKey | GLRQVFXONJDZOI-HSZRJFAPSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 489.2 |
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 | 5.59 | 5.59 | 5.59 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.38 | 5.38 | 5.38 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |