compound 21b [PMID: 12723954]
| SMILES | O=C(N[C@@H](C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NNc1ccc(cc1)Cl |
| InChIKey | SLTBMTIRYMGWLX-XMMPIXPASA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 475.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| SST2 | SSR2 | Human | Somatostatin | A | pKi | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
| SST3 | SSR3 | Human | Somatostatin | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| SST5 | SSR5 | Human | Somatostatin | A | pKi | 8.4 | 8.9 | 9.4 | Guide to Pharmacology |
| SST5 | SSR5 | Rat | Somatostatin | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| SST2 | SSR2 | Rat | Somatostatin | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| SST3 | SSR3 | Rat | Somatostatin | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| SST2 | SSR2 | Mouse | Somatostatin | A | pKi | 7.0 | 8.2 | 9.4 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| SST3 | SSR3 | Mouse | Somatostatin | A | pIC50 | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |