lumateperone
SMILES | Fc1ccc(cc1)C(=O)CCCN1CCC2C(C1)c1cccc3c1N2CCN3C |
InChIKey | HOIIHACBCFLJET-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 393.2 |
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 |
A2A | AA2AR | Guinea pig | Adenosine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Bovine | Adenosine | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |