Details of the Drug

General Information of Drug (ID: DM4LSPN)

Drug Name
Ibudilast
Synonyms
Eyevinal; Ibudilastum; Ketas; Ibudilastum [Latin]; Ke Tas; AV 411; I 0157; KC 404; AV-411; Ibudilast [INN:JAN]; KC-404; Ketas (TN); MN-166; Ibudilast (JAN/INN); 1-(2-Isopropylpyrazolo(1,5-a)pyridin-3-yl)-2-methyl-1-propanone; 2-Isopropyl-3-isobutyrylpyrazolo(1,5-a)pyridine; 2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl] 1-propanone; 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one; 3-Isobutyryl-2-isopropylpyrazolo(1,5-a)pyridine; 3-Isobutyryl-2-isopropylpyrazolo[1,5-a]pyridine
Indication
Disease Entry ICD 11 Status REF
Castleman's disease 4B2Y Approved [1]
Alcohol dependence 6C40.2 Phase 2 [2]
Amyotrophic lateral sclerosis 8B60.0 Phase 2 [3]
Methamphetamine dependence 6C46.2 Phase 2 [2]
Multiple sclerosis 8A40 Phase 2 [4]
Opioid dependence 6C43.2Z Phase 2 [2]
Asthma CA23 Investigative [5]
⏷ Show the Full List of Indication(s)
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 230.31
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 19 hours [6]
Chemical Identifiers
Formula
C14H18N2O
IUPAC Name
2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
Canonical SMILES
CC(C)C1=NN2C=CC=CC2=C1C(=O)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
InChIKey
ZJVFLBOZORBYFE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3671
ChEBI ID
CHEBI:31684
CAS Number
50847-11-5
DrugBank ID
DB05266
TTD ID
D03QJL
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 3 (PDE3) TTZCG4L NOUNIPROTAC Inhibitor [1]
Phosphodiesterase 4 (PDE4) TTV5CGO NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Therapeutic targeting of 3',5'-cyclic nucleotide phosphodiesterases: inhibition and beyond. Nat Rev Drug Discov. 2019 Oct;18(10):770-796.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 Repurposing ibudilast to mitigate Alzheimer's disease by targeting inflammation. Brain. 2023 Mar 1;146(3):898-911.
6 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds