SRA880
SMILES | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] |
InChIKey | INULNSAIIZKOQE-YOSAUDMPSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 464.2 |
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 | pKd | 8.0 | 8.05 | 8.1 | Guide to Pharmacology |
SST5 | SSR5 | Human | Somatostatin | A | pKd | 5.75 | 5.75 | 5.75 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKd | 6.95 | 6.95 | 6.95 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 6.65 | 6.65 | 6.65 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKd | 8.3 | 8.3 | 8.3 | ChEMBL |
SST1 | SSR1 | Human | Somatostatin | A | pKd | 7.99 | 7.99 | 7.99 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pKd | 4.44 | 4.44 | 4.44 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pKd | 5.06 | 5.06 | 5.06 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pKd | 4.82 | 4.82 | 4.82 | ChEMBL |
SST2 | SSR2 | Rat | Somatostatin | A | pKd | 5.11 | 5.11 | 5.11 | ChEMBL |
SST1 | SSR1 | Rat | Somatostatin | A | pKd | 9.15 | 9.15 | 9.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |