BITHIONOL


SMILES Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
InChIKey JFIOVJDNOJYLKP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 353.9

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
NK2 NK2R Human Tachykinin A pKi 5.81 5.81 5.81 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.25 6.25 6.25 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.5 5.5 5.5 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.84 5.84 5.84 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.37 5.37 5.37 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.34 5.34 5.34 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.84 5.84 5.84 ChEMBL
A3 AA3R Human Adenosine A pKi 6.33 6.33 6.33 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.18 6.18 6.18 ChEMBL
μ OPRM Human Opioid A pKi 5.65 5.65 5.65 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.27 8.27 8.27 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.27 8.27 8.27 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
D3 DRD3 Human Dopamine A pKi 8.23 8.23 8.23 Drug Central
μ OPRM Human Opioid A pKi 8.25 8.25 8.25 Drug Central
NK2 NK2R Human Tachykinin A pKi 8.24 8.24 8.24 Drug Central
A2A AA2AR Human Adenosine A pKi 8.21 8.21 8.21 Drug Central
A3 AA3R Human Adenosine A pKi 8.2 8.2 8.2 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 5.33 5.33 5.33 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.91 5.91 5.91 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.36 5.36 5.36 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.26 5.26 5.26 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.42 5.42 5.42 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.17 5.17 5.17 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.06 5.06 5.06 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.38 5.38 5.38 ChEMBL
A3 AA3R Human Adenosine A pIC50 6.08 6.08 6.08 ChEMBL
A2A AA2AR Human Adenosine A pIC50 5.93 5.93 5.93 ChEMBL
μ OPRM Human Opioid A pIC50 5.26 5.26 5.26 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.28 8.28 8.28 Drug Central