ibudilast   Click here for help

GtoPdb Ligand ID: 7399

Synonyms: AV-411 | KC-404 | Ketas® | MN-166
Approved drug PDB Ligand Immunopharmacology Ligand
ibudilast is an approved drug
Compound class: Synthetic organic
Comment: Ibudilast is a phosphodiesterase (PDE) inhibitor antiinflammatory drug. See the Biological activity tab for affinity data across a range of PDE isozymes.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 34.37
Molecular weight 230.14
XLogP 2.65
No. Lipinski's rules broken 0
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Canonical SMILES CC(C(=O)c1c(nn2c1cccc2)C(C)C)C
Isomeric SMILES CC(C(=O)c1c(nn2c1cccc2)C(C)C)C
InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6068 ibudilast
Synonyms Click here for help
AV-411 | KC-404 | Ketas® | MN-166
Database Links Click here for help
CAS Registry No. 50847-11-5
ChEMBL Ligand CHEMBL19449
DrugBank Ligand DB05266
DrugCentral Ligand 1406
GtoPdb PubChem SID 178103971
PubChem CID 3671
Search Google for chemical match using the InChIKey ZJVFLBOZORBYFE-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZJVFLBOZORBYFE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZJVFLBOZORBYFE-UHFFFAOYSA-N
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Ibudilast (links to external site)
Cat. No. 1694