SNAP5089


SMILES COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C
InChIKey FIIXCJGBCCCOQQ-MGBGTMOVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 608.3

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
α1A ADA1A Human Adrenoceptors A pKi 8.9 9.3 9.7 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 5.7 5.7 5.7 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 6.75 6.75 6.75 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.17 6.17 6.17 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.74 9.74 9.74 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database