WAY-181187
| SMILES | NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2 |
| InChIKey | RYBOXBBYCVOYNO-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 380.0 |
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 |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.84 | 6.0 | 6.17 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.66 | 8.71 | 8.85 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.34 | 6.34 | 6.34 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.75 | 6.83 | 6.91 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.31 | 5.31 | 5.31 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| FPR3 | FPR3 | Human | Formylpeptide | A | pIC50 | 5.46 | 5.46 | 5.46 | ChEMBL |
| GPR183 | GP183 | Human | Orphan | A | pIC50 | 5.37 | 5.37 | 5.37 | ChEMBL |
| CX3CR1 | CX3C1 | Human | Chemokine | A | pIC50 | 5.53 | 5.53 | 5.53 | ChEMBL |
| GPR35 | GPR35 | Human | Orphan | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
| GPR119 | GP119 | Human | GPR18, GPR55 and GPR119 | A | pIC50 | 5.29 | 5.29 | 5.29 | ChEMBL |
| C5a1 | C5AR1 | Human | Complement peptide | A | pIC50 | 5.27 | 5.27 | 5.27 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pEC50 | 8.19 | 8.19 | 8.19 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.37 | 5.37 | 5.37 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.53 | 5.53 | 5.53 | ChEMBL |
| apelin | APJ | Human | Apelin | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
| GLP-1 | GLP1R | Human | Glucagon | B1 | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| ADGRF1 | AGRF1 | Human | ADGRF | B2 | pIC50 | 5.39 | 5.39 | 5.39 | ChEMBL |