PBT-3
SMILES | CCCCC/C=C\CC(C(C1CC1)[C@H](/C=C\C/C=C\CCCC(=O)OC)O)C1CC1 |
InChIKey | ODNVBPFEZJHAAU-OBNWJGEWSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 17 |
Molecular weight (Da) | 416.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.31 | 6.31 | 6.31 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.85 | 7.85 | 7.85 | ChEMBL |