CHEMBL4469848


SMILES FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
InChIKey ZKXUDWLJTFYOAN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 395.1

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
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.13 5.13 5.13 ChEMBL
D5 DRD5 Human Dopamine A pKi 7.33 7.33 7.33 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.03 5.03 5.03 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.05 5.05 5.05 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.13 5.13 5.13 ChEMBL
H2 HRH2 Human Histamine A pKi 5.17 5.17 5.17 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.39 5.39 5.39 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.07 5.07 5.07 ChEMBL
H1 HRH1 Human Histamine A pKi 5.01 5.01 5.01 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.16 5.16 5.16 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.16 5.16 5.16 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.29 5.29 5.29 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.82 6.82 6.82 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.16 5.16 5.16 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.09 5.09 5.09 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.07 5.07 5.07 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.05 5.05 5.05 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.37 5.37 5.37 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.6 5.6 5.6 ChEMBL
κ OPRK Human Opioid A pKi 5.82 5.82 5.82 ChEMBL
μ OPRM Human Opioid A pKi 5.36 5.36 5.36 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.12 5.12 5.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pEC50 6.57 7.61 8.64 ChEMBL