CHEMBL4861704
SMILES | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 |
InChIKey | CCHMDLNQDIRPFB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 366.1 |
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 | 4.52 | 4.52 | 4.52 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 4.59 | 4.59 | 4.59 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 4.23 | 4.23 | 4.23 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |