compound 3 [PMID: 21310611]


SMILES O=C(Cc1c(F)ccc(c1F)F)NC[C@H](C1CCN(CC1)C(=O)OC1(C)CC1)F
InChIKey QCIKTRZVLCLGFT-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 416.2

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
α1B ADA1B Human Adrenoceptors A pKi 7.7 7.7 7.7 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.68 8.68 8.68 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.2 8.2 8.2 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.77 8.77 8.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database