ranitidine
SMILES | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C |
InChIKey | VMXUWOKSQNHOCA-UKTHLTGXSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 314.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H2 | HRH2 | Human | Histamine | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
H2 | HRH2 | Rat | Histamine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
H2 | HRH2 | Human | Histamine | A | pKi | 7.05 | 7.05 | 7.05 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H3 | HRH3 | Rat | Histamine | A | pKi | 5.0 | 5.1 | 5.3 | PDSP Ki database |
H3 | HRH3 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H4 | HRH4 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H2 | HRH2 | Human | Histamine | A | pKi | 5.0 | 6.05 | 7.1 | PDSP Ki database |
H2 | HRH2 | Human | Histamine | A | pKd | 8.16 | 8.16 | 8.16 | Drug Central |
H2 | HRH2 | Rat | Histamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |