cilnidipine   Click here for help

GtoPdb Ligand ID: 7767

Synonyms: FRC-8653
Approved drug
cilnidipine is an approved drug
Compound class: Synthetic organic
Comment: Cilnidipine is a calcium channel blocking antihypertensive drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 117
Molecular weight 492.19
XLogP 5.43
No. Lipinski's rules broken 2
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Canonical SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC=Cc1ccccc1)C
Isomeric SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C
InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Cav2.2 Rn Channel blocker Pore blocker 6.7 pIC50 - 1
pIC50 6.7 [1]
Voltage: -60.0 mV