dexniguldipine


SMILES COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C
InChIKey SVJMLYUFVDMUHP-MGBGTMOVSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 609.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 5.7 5.7 5.7 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 7.25 7.37 7.6 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.35 6.35 6.35 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.33 9.28 9.8 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.77 6.96 7.1 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.38 4.38 4.38 ChEMBL
A3 AA3R Human Adenosine A pKi 5.72 5.72 5.72 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.0 8.0 8.0 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
A3 AA3R Human Adenosine A pKi 8.24 8.24 8.24 Drug Central
A1 AA1R Rat Adenosine A pKi 8.36 8.36 8.36 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
α1A ADA1A Rat Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.19 8.19 8.19 Drug Central
α1A ADA1A Bovine Adrenoceptors A pKi 8.03 8.03 8.03 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 6.05 6.05 6.05 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.18 6.18 6.18 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database