CHEMBL4211343
| SMILES | CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(C(C)C)CC2)cc1 |
| InChIKey | LTOUJPZHCMXJQW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 448.3 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H3 | HRH3 | Human | Histamine | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| GPR4 | GPR4 | Human | A orphans | A | pIC50 | 7.2 | 7.2 | 7.2 | ChEMBL |