CHEMBL4870510
SMILES | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 |
InChIKey | VKIMBPNGXDKNLX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 374.2 |
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 | 4.95 | 4.95 | 4.95 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 4.9 | 4.9 | 4.9 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 4.66 | 4.66 | 4.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |