derenofylline


SMILES O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1
InChIKey RBZNJGHIKXAKQE-HDJSIYSDSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 308.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations A1 A2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP3 PE2R3 Mouse Prostanoid A pKi 7.25 7.25 7.25 ChEMBL
EP3 PE2R3 Mouse Prostanoid A pKi 7.25 7.25 7.25 Guide to Pharmacology
EP4 PE2R4 Mouse Prostanoid A pKi 9.2 9.2 9.2 Guide to Pharmacology
EP2 PE2R2 Mouse Prostanoid A pKi 6.2 6.2 6.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Mouse Prostanoid A pEC50 8.8 8.8 8.8 ChEMBL