ICI-89406


SMILES C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O
InChIKey HTLWRKRZKFAAAH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 354.2

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
β1 B0FL73 Guinea pig Adrenoceptors A pKd 9.03 9.03 9.03 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKd 5.72 5.72 5.72 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 8.75 9.12 9.48 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 6.84 7.04 7.25 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.88 6.88 6.88 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 8.8 8.8 8.8 Guide to Pharmacology
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.61 5.61 5.61 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.54 5.54 5.54 PDSP Ki database
β2 ADRB2 Guinea pig Adrenoceptors A pKd 6.08 6.08 6.08 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pKi 8.74 8.74 8.74 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 5.0 5.0 5.0 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 9.09 9.09 9.09 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.22 7.22 7.22 ChEMBL