BMY-7378


SMILES COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2
InChIKey AYYCFGDXLUPJAQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 385.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations α1A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 6.6 6.8 7.0 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 6.2 6.85 7.5 Guide to Pharmacology
α1A ADA1A Rat Adrenoceptors A pKi 7.0 7.0 7.0 Guide to Pharmacology
α1D G3V8W0 Rat Adrenoceptors A pKi 9.0 9.0 9.0 Guide to Pharmacology
α1A ADA1A Bovine Adrenoceptors A pKi 7.37 7.37 7.37 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 7.37 7.5 7.55 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 6.48 6.48 6.48 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.15 6.46 7.3 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 5.98 6.76 7.01 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.21 6.49 6.95 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.2 8.82 9.11 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.31 7.43 7.76 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.36 6.54 7.37 ChEMBL
α1A ADA1A Human Adrenoceptors A pKd 6.42 6.42 6.42 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.1 8.13 8.71 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.76 9.09 9.43 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.85 7.85 7.85 ChEMBL
D3 DRD3 Rat Dopamine A pKi 8.51 8.51 8.51 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.6 8.85 9.1 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.8 7.4 8.0 Guide to Pharmacology
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.62 8.62 8.62 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.85 4.88 4.9 ChEMBL