benzoquinazolinone 12
SMILES | O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)c1cnn(c1)C |
InChIKey | SXJQBWJPNSOKQV-UIOOFZCWSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 465.2 |
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 |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.86 | 6.86 | 6.86 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.47 | 7.47 | 7.47 | ChEMBL |