Bioactive Compound Details

BioIDbio199087
NameISOBUTYLMETHYLXANTHINE
ChEMBL IDCHEMBL275084
Molecular FormulaC10H14N4O2
Molecular Weight222.25
Molecular Weight (Monoisotopic)222.1117
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Acetoxy-Benzoic Acid|3-Isobutyl-Methylxanthine
SmilesCC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c21
InchiInChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
Inchi KeyAPIXJSLKIYYUKG-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets54.0
Bioactivities146.0
Np Likeness Score-0.58
Records Key['IBMX, Isobutylmethylxanthine', '3-isobutyl-1-menthyl xanthine', 'IBMX (3-isobutyl-1-methylxanthine)', 'IBMX', 'IBMX', '27', '1e', '58', 'IBMX', '1a', '28', 'IBMX', '3-isobutyl-l-methylxanthine', '3-ISOBUTYL-1-METHYLXANTHINE (IBMX)', '1, MIX', 'table 2 IBMX (6)', 'IBMX', 'IBMX', 'SID90340936', 'IBMX', 'SID26747540', 'SID26747541', 'IBMX', '3-Isobutyl-1-methylxanthine', 'SID50106451', 'IBMX', 'IBMX', '3-Isobutyl-1-methylxanthine', 'IBMX, 1ZKL', 'IBMX', 'IBMX [1-Methyl-3-isobutylxanthine]', 'Ibmx', 'IBMX', 'SID11111325', 'IBMX', 'SID26732612', 'IBMX', 'ISOBUTYLMETHYLXANTHINE', 'IBMX', 'IBMX; CHEMBL275084', 'COVC-0140827320', 'IBMX', 'IBMX', 'IBMX', 'IBMX', '14; IBMX']
Records Name['3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione (IBMX)', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '2-Acetoxy-benzoic acid', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '3-isobutyl-1-methylxanthine', '3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione', '3-ISOBUTYL-1-METHYLXANTHINE (IBMX)', '1-Methyl-3-isobutylxanthine', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione (IBMX)', '3-isobutyl-1-methylxanthine', 'SID90340936', '3-isobutyl-1-methylxanthine', 'SID26747540', 'SID26747541', '3-isobutyl-methylxanthine', '3-Isobutyl-1-methylxanthine', 'SID50106451', '3-Isobutyl-1-methylxanthine', '3-isobutyl-1-methylxanthine', '3-Isobutyl-1-methylxanthine', '3-isobutyl-1-methylxanthine', '3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione (IBMX)', '1,3-Dimethyl-7-{2-[(pyridin-3-ylmethyl)-amino]-ethyl}-3,7-dihydro-purine-2,6-dione', '3-isobutyl-1-methylxanthine', '3-isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione', 'SID11111325', '3-isobutyl-1-methylxanthine', 'SID26732612', '3-isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione', 'ISOBUTYLMETHYLXANTHINE', 'IBMX', '3-isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione', 'IBMX', '3-isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione', '3-isobutyl-1-methylxanthine', '3-Isobutyl-1-methylxanthine', '1-methyl-3-isobutylxanthine', '3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure