CHEMBL5222556
SMILES | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 |
InChIKey | PCFGLLVVPCPPIG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 373.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pKd | 7.8 | 7.8 | 7.8 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKd | 7.91 | 7.91 | 7.91 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKd | 8.35 | 8.35 | 8.35 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.04 | 5.04 | 5.04 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKd | 8.52 | 8.52 | 8.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |