CHEMBL71723
SMILES | NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 |
InChIKey | DAMXHAMKVXERLM-QEGDFHJFSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 539.3 |
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 | 8.8 | 8.8 | 8.8 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 5.35 | 5.35 | 5.35 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.76 | 5.76 | 5.76 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 5.53 | 5.53 | 5.53 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |