ONO-AE1-437


SMILES COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O
InChIKey ORSJUPRAHPZYRL-XHTUOEPPSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 436.2

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
EP4 PE2R4 Mouse Prostanoid A pKi 9.15 9.15 9.15 Guide to Pharmacology
EP4 PE2R4 Human Prostanoid A pKi 9.4 9.4 9.4 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pKi 9.15 9.15 9.15 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 7.25 7.25 7.25 ChEMBL
EP2 PE2R2 Mouse Prostanoid A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Rat Prostanoid A pEC50 8.85 8.85 8.85 ChEMBL
EP2 PE2R2 Human Prostanoid A pEC50 5.0 5.61 6.21 ChEMBL
EP4 PE2R4 Human Prostanoid A pEC50 9.85 10.43 11.0 ChEMBL
EP4 PE2R4 Mouse Prostanoid A pEC50 8.8 8.8 8.8 ChEMBL