silodosin


SMILES OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N
InChIKey PNCPYILNMDWPEY-QGZVFWFLSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 495.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 9M4T
Ligand site mutations α1A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 9.4 9.9 10.4 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 6.5 7.1 7.7 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 6.9 7.8 8.7 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.04 7.04 7.04 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.43 6.43 6.43 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.71 7.21 7.7 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.33 8.02 8.7 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.44 6.44 6.44 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 ChEMBL
H1 HRH1 Human Histamine A pKi 5.45 5.45 5.45 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.8 5.8 5.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.52 9.45 10.44 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.17 6.17 6.17 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.48 7.48 7.48 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.33 7.33 7.33 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.14 7.14 7.14 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.0 6.0 6.0 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.98 7.98 7.98 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.06 8.06 8.06 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 7.04 7.04 7.04 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 6.27 6.61 6.94 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 9.1 9.1 9.1 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 7.56 7.88 8.2 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 8.72 8.73 8.74 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.67 6.67 6.67 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.04 8.04 8.04 Drug Central