S(+)-niguldipine


SMILES COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C
InChIKey SVJMLYUFVDMUHP-XIFFEERXSA-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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations α1A α1B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 9.1 9.55 10.0 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 6.3 7.0 7.7 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 5.9 6.65 7.4 Guide to Pharmacology
α1A ADA1A Rat Adrenoceptors A pKi 9.3 9.3 9.3 Guide to Pharmacology
α1D ADA1D Rat Adrenoceptors A pKi 7.08 7.08 7.08 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.07 7.31 7.6 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.2 8.2 8.2 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.72 6.86 7.0 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.38 6.38 6.38 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.43 6.46 6.48 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.53 6.53 6.53 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.74 9.54 9.8 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.19 6.24 6.28 ChEMBL
A3 AA3R Human Adenosine A pKi 5.55 5.55 5.55 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 9.42 9.42 9.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database