CHEMBL1447076
SMILES | NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 |
InChIKey | DQGIJMOOKDUPSB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 473.0 |
Drug properties
Molecular type | Small molecule |
Physiological/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 |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.48 | 5.48 | 5.48 | ChEMBL |
NTS1 | NTR1 | Human | Neurotensin | A | pEC50 | 4.6 | 4.6 | 4.6 | ChEMBL |
S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.06 | 6.06 | 6.06 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.66 | 5.66 | 5.66 | ChEMBL |