CHEMBL5222960
SMILES | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 |
InChIKey | RXDHWPCPLSUTCP-GFCCVEGCSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 314.2 |
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 | pKd | 7.8 | 7.8 | 7.8 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 8.21 | 8.21 | 8.21 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKd | 7.91 | 7.91 | 7.91 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKd | 8.35 | 8.35 | 8.35 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 8.77 | 8.77 | 8.77 | 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 |