IBUDILAST

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R03DC04
UNII: M0TTH61XC5

Structure
InChI Key ZJVFLBOZORBYFE-UHFFFAOYSA-N
Smile CC(C)C(=O)c1c(C(C)C)nn2ccccc12
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H18N2O
Molecular Weight 230.31
AlogP 3.3
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 34.37
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 10A inhibitor PubMed PubMed PubMed
Primary Target
phosphodiesterase 4A
phosphodiesterase 4B
phosphodiesterase 4C
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 6
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
900 54-1300 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- 65-5000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- 239-239 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 166-166 - - -
Enzyme
900 54-1300 1400 30900 6

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Spinal Cord Diseases 3 D013118 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials
Multiple Sclerosis, Chronic Progressive 2 D020528 ClinicalTrials
Alcoholism 2 D000437 ClinicalTrials
Amphetamine-Related Disorders 2 D019969 ClinicalTrials
Pneumonia, Viral 2 D011024 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Diabetic Neuropathies 1 D003929 ClinicalTrials
Migraine Disorders 1 D008881 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials
Pain 1 D010146 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 50847-11-5
ChEBI 31684
ChEMBL CHEMBL19449
DrugBank DB05266
DrugCentral 1406
EPA CompTox DTXSID7049007
FDA SRS M0TTH61XC5
Human Metabolome Database HMDB0015614
Guide to Pharmacology 7399
PDB AVL
PharmGKB PA165958351
PubChem 3671
SureChEMBL SCHEMBL30390
ZINC ZINC000000004234
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