piboserod
SMILES | CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2 |
InChIKey | KVCSJPATKXABRQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 369.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Chicken | Adenosine | A | pKi | 7.17 | 7.17 | 7.17 | PDSP Ki database |
A1 | AA1R | Human | Adenosine | A | pKi | 7.4 | 7.4 | 7.4 | PDSP Ki database |
A3 | AA3R | Human | Adenosine | A | pKi | 6.77 | 6.77 | 6.77 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TAS2R4 | TA2R4 | Human | Taste 2 | T | pIC50 | 4.46 | 4.46 | 4.46 | Guide to Pharmacology |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 7.5 | 7.5 | 7.5 | ChEMBL |