CHEMBL3647685
SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |
InChIKey | HIYFAGTUBRCMCS-VSGBWIQQSA-N |
Chemical properties
Hydrogen bond acceptors | 20 |
Hydrogen bond donors | 20 |
Rotatable bonds | 34 |
Molecular weight (Da) | 1896.0 |
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 |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 8.12 | 8.12 | 8.12 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.95 | 6.95 | 6.95 | ChEMBL |
SST1 | SSR1 | Human | Somatostatin | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 9.68 | 9.68 | 9.68 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 8.83 | 8.83 | 8.83 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |