famotidine
SMILES | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N |
InChIKey | XUFQPHANEAPEMJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 337.0 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Structure pdb | 7UL3 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H2 | HRH2 | Human | Histamine | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
H2 | HRH2 | Guinea pig | Histamine | A | pKi | 7.92 | 7.92 | 7.92 | PDSP Ki database |
H2 | HRH2 | Human | Histamine | A | pKd | 8.1 | 8.1 | 8.1 | Drug Central |
H2 | HRH2 | Guinea pig | Histamine | A | pKd | 8.15 | 8.15 | 8.15 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H2 | HRH2 | Human | Histamine | A | pIC50 | 7.38 | 7.38 | 7.38 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |