CHEMBL40650


SMILES COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21
InChIKey OLPQNRLJYOGSGV-WMLDXEAASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 448.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1F 5HT1F Rat 5-Hydroxytryptamine A pKi 5.47 5.47 5.47 ChEMBL
D1 DRD1 Mouse Dopamine A pKi 6.14 6.14 6.14 ChEMBL
α2B ADA2B Rat Adrenoceptors A pKi 7.88 7.88 7.88 ChEMBL
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 7.08 7.08 7.08 ChEMBL
α1B ADA1B Golden hamster Adrenoceptors A pKi 8.47 8.47 8.47 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 9.11 9.11 9.11 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 9.29 9.29 9.29 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 7.89 7.89 7.89 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.16 8.16 8.16 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 8.93 8.93 8.93 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.57 9.57 9.57 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.01 9.01 9.01 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.78 7.78 7.78 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 4.97 4.97 4.97 ChEMBL
α1A ADA1A Human Adrenoceptors A pKd 9.0 9.0 9.0 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.66 9.66 9.66 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.02 7.02 7.02 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.41 5.41 5.41 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.71 7.71 7.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database