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Compound Detail

CHEMBL87967

ITACONIC ANHYDRIDE
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C=C1CC(=O)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87967
Name ITACONIC ANHYDRIDE
Phase Preclinical
Structure Type MOL
InChI Key OFNISBHGPNMTMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

112.1
MW (Da)
0.02
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H4O3
MW 112.08
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 1.54

Literature References

PubMed DOI Target Context # Activities
11755366 10.1016/s0960-894x(01)00718-1 Protein farnesyltransferase 1
11755366 10.1016/s0960-894x(01)00718-1 Geranylgeranyl transferase type I 1
22985027 10.1021/jm301064b NON-PROTEIN TARGET 1
22985027 10.1021/jm301064b HL-60 1

Data from ChEMBL 36 via Core Engine