RS-504393


SMILES O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C
InChIKey ODNICNWASXKNNQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 417.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations CCR2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pKi 9.9 9.9 9.9 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 8.7 8.7 8.7 Guide to Pharmacology
β3 ADRB3 Mouse Adrenoceptors A pKi 7.7 7.7 7.7 Guide to Pharmacology
β3 ADRB3 Rat Adrenoceptors A pKi 7.7 7.7 7.7 Guide to Pharmacology
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.2 5.2 5.2 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 9.94 9.94 9.94 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 8.0 8.0 8.0 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 8.06 8.06 8.06 Drug Central
β3 ADRB3 Mouse Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
β1 ADRB1 Mouse Adrenoceptors A pKi 8.0 8.0 8.0 Drug Central
β3 ADRB3 Rat Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 9.94 10.23 10.52 ChEMBL
β1 ADRB1 Mouse Adrenoceptors A pKi 10.05 10.05 10.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database