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

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