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)
Affected Organisms
Humans and other mammals
ATC Code
R03DC04: Ibudilast
R03DC: Leukotriene receptor antagonists
R03D: OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R: RESPIRATORY SYSTEM
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
CHEMBL31684
CAS Number
50847-11-5
UNII
M0TTH61XC5
DrugBank ID
DB05266
TTD ID
D03QJL
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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