CHEMBL320174
| SMILES | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1 |
| InChIKey | JWVSNNPXFZNTNU-LPHOPBHVSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 433.3 |
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 |
| H3 | HRH3 | Rat | Histamine | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 4.62 | 4.62 | 4.62 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 4.22 | 4.22 | 4.22 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |