CHEMBL4466483


SMILES FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
InChIKey BWXKKFQODXKNLQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 411.1

Drug properties

Molecular type Small molecule
Endogenous/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 5.11 5.11 5.11 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.21 5.21 5.21 ChEMBL
D5 DRD5 Human Dopamine A pKi 7.57 7.57 7.57 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 5.43 5.43 5.43 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.39 5.39 5.39 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.32 5.32 5.32 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.54 5.54 5.54 ChEMBL
H2 HRH2 Human Histamine A pKi 5.6 5.6 5.6 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.07 5.07 5.07 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.42 5.42 5.42 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.58 5.58 5.58 ChEMBL
H1 HRH1 Human Histamine A pKi 5.58 5.58 5.58 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.57 5.57 5.57 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.96 5.96 5.96 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.77 5.77 5.77 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.89 6.89 6.89 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.31 5.31 5.31 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.18 5.18 5.18 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.14 5.14 5.14 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.23 5.23 5.23 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.47 5.47 5.47 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.21 5.21 5.21 ChEMBL
κ OPRK Human Opioid A pKi 5.5 5.5 5.5 ChEMBL
μ OPRM Human Opioid A pKi 5.68 5.68 5.68 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.06 5.06 5.06 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.43 5.43 5.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pEC50 8.66 8.66 8.66 ChEMBL