[3H]S0139


SMILES O=C(OC[C@@]12CC[C@@]3([C@H](C1=CCC1[C@@]2(C)CCC2[C@]1(C)CCC(=O)C2(C)C)CC(CC3)(C)C)C(=O)[O-])/C=C/c1cc(O)ccc1NC(=O)/C=C/C(=O)[O-]
InChIKey NZCHLXQRTYIWRL-VDJOMVRUSA-L

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 727.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pKd 9.2 9.2 9.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database