pipotiazine
SMILES | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C |
InChIKey | JOMHSQGEWSNUKU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 475.2 |
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 |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKd | 8.8 | 8.8 | 8.8 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.52 | 8.52 | 8.52 | PDSP Ki database |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 6.2 | 6.2 | 6.2 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |