Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5287)
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 Castleman's disease [ICD11: 4B2Y] Approved [1]
Alcohol dependence [ICD11: ICD11: 6C40] Phase 2 [2]
Amyotrophic lateral sclerosis [ICD11: ICD11: 8B60] Phase 2 [3]
Methamphetamine dependence [ICD11: ICD11: 6C46] Phase 2 [4]
Multiple sclerosis [ICD11: ICD11: 8A40] Phase 2 [5]
Opiate dependence [ICD11: ICD11: 6C43] Phase 2 [6]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 230.31 Topological Polar Surface Area 34.4
Heavy Atom Count 17 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
3671
ChEBI ID
CHEBI:31684
CAS Number
50847-11-5
TTD Drug ID
D03QJL
Formula
C14H18N2O
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
6,7-dihydrodiol-ibudilast DM016964 N. A. Oxidation - Oxidation 1 [8]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007852 Ibudilast 6,7-dihydrodiol-ibudilast Oxidation - Oxidation Unclear [8]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[7]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[7]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[7]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[7]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[7]
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 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
6 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
7 Cross-species comparisons of the pharmacokinetics of ibudilast
8 Ibudilast in healthy volunteers: safety, tolerability and pharmacokinetics with single and multiple doses

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