BAY-293


SMILES CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1
InChIKey WEGLOYDTDILXDA-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 448.2

Drug properties

Molecular type Unknown
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.59 5.63 5.67 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.74 6.75 6.77 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.85 5.86 5.87 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.58 6.58 6.58 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.91 5.91 5.91 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.47 6.47 6.47 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.88 6.88 6.88 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.02 6.03 6.03 ChEMBL
H2 HRH2 Human Histamine A pKi 6.85 6.85 6.86 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.76 5.76 5.77 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.58 5.58 5.58 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.37 6.37 6.37 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.01 6.01 6.02 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.9 5.9 5.9 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.21 6.21 6.21 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.29 6.29 6.29 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.47 5.5 5.54 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.62 6.64 6.68 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.44 5.46 5.47 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.03 6.03 6.03 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.88 6.91 6.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database