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
SMILES / InChI / InChIKey
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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
InChI Key ZJVFLBOZORBYFE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
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
RCSB PDB Ligand AVL
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Wikipedia Ibudilast

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Tocris
Ibudilast
Cat. No. 1694