CHEMBL1341200
SMILES | Cc1cccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c1 |
InChIKey | VSTCJSDHMGSFMA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 328.1 |
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 |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.06 | 5.06 | 5.06 | ChEMBL |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.39 | 5.39 | 5.39 | ChEMBL |