DIFLUOROBENZTROPINE


SMILES CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIKey MHNSOBBJZCWUGS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 343.2

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
D5 DRD5 Human Dopamine A pKi 6.41 6.41 6.41 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.58 6.58 6.58 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 7.94 7.99 8.21 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.24 7.24 7.24 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.35 7.35 7.35 ChEMBL
H2 HRH2 Human Histamine A pKi 6.23 6.23 6.23 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.23 8.23 8.23 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.43 6.43 6.43 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.94 7.97 8.01 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.84 6.89 6.94 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.76 7.76 7.76 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.12 6.12 6.12 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.95 5.95 5.95 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.62 6.62 6.62 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.63 6.63 6.63 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 7.31 7.31 7.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CX3CR1 CX3C1 Human Chemokine A pIC50 5.48 5.48 5.48 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.38 5.38 5.38 ChEMBL