atrasentan


SMILES CCCCN(C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(cc1)OC)C(=O)O)c1ccc2c(c1)OCO2)CCCC
InChIKey MOTJMGVDPWRKOC-QPVYNBJUSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 510.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 7.68 7.98 8.28 ChEMBL
5-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pEC50 7.18 7.56 7.78 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pEC50 7.7 7.7 7.7 ChEMBL