CHEMBL45725
| SMILES | N#CN/C(=N\CCNC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1 |
| InChIKey | IZDGKFRIKNVWQY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 18 |
| Molecular weight (Da) | 634.3 |
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 |
| H2 | HRH2 | Guinea pig | Histamine | A | pKd | 7.59 | 7.59 | 7.59 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |