CHEMBL4596734
| SMILES | CCCNC1CN(c2ccnc(N)n2)C1 |
| InChIKey | RUMWHMMFUXGDRP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 207.1 |
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 |
| H4 | HRH4 | Mouse | Histamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
| H3 | HRH3 | Mouse | Histamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H4 | HRH4 | Mouse | Histamine | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |
| H3 | HRH3 | Mouse | Histamine | A | pEC50 | 10.0 | 10.0 | 10.0 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pEC50 | 8.5 | 8.5 | 8.5 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pEC50 | 8.4 | 8.95 | 9.5 | ChEMBL |