5-butyl-1H-pyrazole-3-carboxylic acid
SMILES | CCCCc1cc(n[nH]1)C(=O)O |
InChIKey | ZJTXSGLJNBAMJS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 168.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
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 | Human | Histamine | A | pKd | 8.1 | 8.1 | 8.1 | 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 |