compound 28.1 [PMID: 36847646]


SMILES CC1=CC(=NC(NC2=C(C=CC=C2)C3=NN=NN3)=N1)C(F)(F)F
InChIKey XXKGCSWBGJTTJM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 321.1

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
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.64 5.64 5.64 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.96 5.96 5.96 ChEMBL
D2 DRD2 Human Dopamine A pKi 4.8 4.97 5.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TAS2R14 T2R14 Human Taste 2 T2 pEC50 7.14 7.14 7.14 Guide to Pharmacology
TAS2R14 T2R14 Human Taste 2 T2 pEC50 7.14 7.14 7.14 ChEMBL