ciglitazone   Click here for help

GtoPdb Ligand ID: 2711

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 80.7
Molecular weight 333.14
XLogP 3.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1
Isomeric SMILES O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1
InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)
InChI Key YZFWTZACSRHJQD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
International Nonproprietary Names Click here for help
INN number INN
5364 ciglitazone
Database Links Click here for help
BindingDB Ligand 50049243
CAS Registry No. 74772-77-3 (source: Scifinder)
ChEMBL Ligand CHEMBL7002
GtoPdb PubChem SID 135650096
PubChem CID 2750
Search Google for chemical match using the InChIKey YZFWTZACSRHJQD-UHFFFAOYSA-N
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Search PubMed clinical trials ciglitazone
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Search UniChem for chemical match using the InChIKey YZFWTZACSRHJQD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YZFWTZACSRHJQD
Wikipedia Ciglitazone

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Tocris
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Cat. No. 1309