CHEMBL4874758
SMILES | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C |
InChIKey | WPXMCQSKYJYGHB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 298.2 |
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 | Human | Histamine | A | pKi | 4.06 | 4.06 | 4.06 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.98 | 6.98 | 6.98 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 4.35 | 4.35 | 4.35 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 4.54 | 4.54 | 4.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H2 | HRH2 | Human | Histamine | A | pEC50 | 6.75 | 6.76 | 6.77 | ChEMBL |