JNJ-17156516


SMILES COc1ccc(cc1)n1nc(cc1c1ccc(c(c1)Cl)Cl)C[C@@H](c1cccc(c1)C)C(=O)O
InChIKey UZCIUKFEIOCAOC-QFIPXVFZSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 480.1

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
β1 ADRB1 Human Adrenoceptors A pKi 7.9 8.55 9.2 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 5.1 5.4 5.7 Guide to Pharmacology
β1 ADRB1 Mouse Adrenoceptors A pKi 8.85 8.85 8.85 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 7.22 8.61 9.48 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 8.92 8.92 8.92 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.22 6.22 6.22 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.13 5.13 5.13 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 8.33 8.33 8.33 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.39 5.39 5.39 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 5.63 5.63 5.63 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 5.82 5.88 5.98 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKd 5.26 5.26 5.26 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pKi 5.0 7.36 8.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 5.0 5.0 5.0 ChEMBL