R121919
SMILES | CCCN(c1cc(C)nc2n1nc(c2c1cnc(cc1C)N(C)C)C)CCC |
InChIKey | ANNRUWYFVIGKHA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 380.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | CRF1 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 9.52 | 9.81 | 10.1 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 7.9 | 7.9 | 7.9 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 8.8 | 9.55 | 10.3 | Guide to Pharmacology |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 6.6 | 7.25 | 7.9 | Guide to Pharmacology |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 6.6 | 8.4 | 10.2 | Guide to Pharmacology |
SST5 | SSR5 | Rat | Somatostatin | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
SST2 | SSR2 | Rat | Somatostatin | A | pKi | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
SST5 | SSR5 | Mouse | Somatostatin | A | pKi | 6.7 | 7.6 | 8.5 | Guide to Pharmacology |
SST3 | SSR3 | Rat | Somatostatin | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
SST2 | SSR2 | Mouse | Somatostatin | A | pKi | 7.1 | 8.5 | 9.9 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 8.8 | 8.8 | 8.8 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 7.09 | 7.09 | 7.09 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.98 | 6.98 | 6.98 | ChEMBL |
SST3 | SSR3 | Mouse | Somatostatin | A | pIC50 | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |