CHEMBL1412583
SMILES | CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 |
InChIKey | IHJCKBWPCNFLBM-BOPFTXTBSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 490.1 |
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 |
S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.47 | 7.47 | 7.47 | ChEMBL |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.47 | 6.62 | 6.78 | ChEMBL |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.31 | 6.31 | 6.31 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.21 | 5.83 | 6.46 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |