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 |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Rat | Adenosine | A | pKd | 7.02 | 7.44 | 7.86 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.64 | 7.73 | 9.22 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.34 | 8.34 | 8.34 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 7.4 | 7.4 | 7.4 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.95 | 7.4 | Guide to Pharmacology |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.4 | 5.45 | 5.5 | Guide to Pharmacology |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKd | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 8.1 | 8.4 | Guide to Pharmacology |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.88 | 7.17 | 8.46 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKd | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.33 | 8.33 | 8.33 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKd | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
α2C | ADA2C | Human | Adrenoceptors | A | pKd | 9.9 | 9.9 | 9.9 | Guide to Pharmacology |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
α2A | ADA2A | Bovine | Adrenoceptors | A | pKi | 7.75 | 8.11 | 8.47 | ChEMBL |
5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 7.8 | 7.8 | 7.8 | ChEMBL |