compound 21 [PMID: 25259874]


SMILES O=C(c1nc([nH]c1C)C(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)CCCNC(=N)N
InChIKey RFBOIZXPIAOMAX-SFHVURJKSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 6
Rotatable bonds 10
Molecular weight (Da) 448.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Mouse Prostanoid A pKi 6.39 6.39 6.39 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 9.07 9.07 9.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP3 PE2R3 Mouse Prostanoid A pIC50 7.96 7.96 7.96 ChEMBL