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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pKi 10.47 10.47 10.47 Guide to Pharmacology
ETB EDNRB Human Endothelin A pKi 6.86 6.86 6.86 Guide to Pharmacology
ETA EDNRA Human Endothelin A pKi 10.47 10.47 10.47 ChEMBL
ETA EDNRA Rat Endothelin A pKi 10.33 10.4 10.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pA2 9.2 9.2 9.2 Guide to Pharmacology
ETA EDNRA Human Endothelin A pIC50 9.51 10.16 10.47 ChEMBL
ETB EDNRB Pig Endothelin A pIC50 6.28 6.65 6.96 ChEMBL
ETB EDNRB Human Endothelin A pIC50 6.29 6.85 7.2 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 8.82 9.46 10.1 ChEMBL