CHEMBL4845733
SMILES | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1 |
InChIKey | VCBVQPPOGCHJKE-GFCCVEGCSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 390.2 |
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 | 4.49 | 4.49 | 4.49 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 4.28 | 4.28 | 4.28 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 4.08 | 4.08 | 4.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |