CHEMBL4596409
SMILES | CN[C@@H]1CCN(c2ccnc(NCC(C)(C)C)n2)C1 |
InChIKey | ZZPQCQWVWDUPSI-LLVKDONJSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 263.2 |
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 |
H4 | HRH4 | Human | Histamine | A | pKi | 8.42 | 8.42 | 8.42 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 7.56 | 7.56 | 7.56 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Mouse | Histamine | A | pEC50 | 7.59 | 8.28 | 8.96 | ChEMBL |
H4 | HRH4 | Rat | Histamine | A | pEC50 | 7.53 | 8.37 | 9.21 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pEC50 | 8.16 | 8.69 | 9.22 | ChEMBL |