manidipine   Click here for help

GtoPdb Ligand ID: 11739

Synonyms: Artedil® | CV-4093 | CV4093 | Franidipine® | Iperten®
Approved drug
manidipine is an approved drug
Compound class: Synthetic organic
Comment: Manidipine (CV-4093) is dihydropyridine calcium channel blocker.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the CDK toolkit. All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 114.25
Molecular weight 610.28
XLogP 6.09
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

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Canonical SMILES COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C
Isomeric SMILES CC1=C(C(C(=C(N1)C)C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cc(ccc1)[N+](=O)[O-])C(=O)OC
InChI InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3
InChI Key ANEBWFXPVPTEET-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names Click here for help
INN number INN
6300 manidipine
Synonyms Click here for help
Artedil® | CV-4093 | CV4093 | Franidipine® | Iperten®
Database Links Click here for help
BindingDB Ligand 50227969
CAS Registry No. 120092-68-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL312176
DrugBank Ligand DB09238
GtoPdb PubChem SID 458923774
PubChem CID 4008
Search Google for chemical match using the InChIKey ANEBWFXPVPTEET-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ANEBWFXPVPTEET
Search PubMed clinical trials manidipine
Search PubMed titles manidipine
Search PubMed titles/abstracts manidipine
UniChem Compound Search for chemical match using the InChIKey ANEBWFXPVPTEET-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ANEBWFXPVPTEET-UHFFFAOYSA-N