compound 20f [PMID: 21536438]


SMILES O=C(N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(c1C)Oc1cccnc1C)OC(C)(C)C
InChIKey YKEGUYTXACKXKS-IRXDYDNUSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 426.2

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 6.76 6.76 6.76 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.07 7.07 7.07 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.45 6.45 6.45 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database