RS-102221


SMILES COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F
InChIKey HZZZZODVDSHQRG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 612.2

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
α1A ADA1A Human Adrenoceptors A pKi 8.4 8.4 8.4 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 8.0 8.0 8.0 Guide to Pharmacology
α1D ADA1D Rat Adrenoceptors A pKi 9.8 9.8 9.8 Guide to Pharmacology
α1A ADA1A Rat Adrenoceptors A pKi 8.5 8.5 8.5 Guide to Pharmacology
α1A ADA1A Bovine Adrenoceptors A pKi 9.46 9.46 9.46 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 9.77 9.77 9.77 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 10.7 10.7 10.7 ChEMBL
D1 DRD1 Rat Dopamine A pKi 4.91 4.91 4.91 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 8.76 8.76 8.76 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.46 8.46 8.46 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 8.36 8.36 8.36 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.09 7.09 7.09 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.08 7.08 7.08 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.38 8.38 8.38 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.04 8.04 8.04 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.51 9.51 9.51 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.5 9.5 9.5 Guide to Pharmacology
α2B ADA2B Rat Adrenoceptors A pKi 7.18 7.18 7.18 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.77 7.77 7.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database