clazosentan


SMILES Cc1cnc(cc1)S(=O)(=O)Nc1c(c(nc(n1)c1cc(ncc1)c1n[nH]nn1)OCCO)Oc1ccccc1OC
InChIKey LFWCJABOXHSRGC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 577.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pKi 9.89 9.89 9.89 Guide to Pharmacology
ETB EDNRB Human Endothelin A pKi 6.76 6.76 6.76 Guide to Pharmacology
ETB EDNRB Human Endothelin A pKi 6.76 6.76 6.76 ChEMBL
ETA EDNRA Human Endothelin A pKi 9.89 9.89 9.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pA2 9.5 9.5 9.5 Guide to Pharmacology
ETB EDNRB Human Endothelin A pIC50 6.76 6.76 6.76 ChEMBL
ETA EDNRA Human Endothelin A pIC50 8.77 8.77 8.77 ChEMBL