Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL449520

ATRACTYLENOLIDE I
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449520
Name ATRACTYLENOLIDE I
Phase Preclinical
Structure Type MOL
InChI Key ZTVSGQPHMUYCRS-SWLSCSKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
3.51
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.47
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 C15H18O2
MW 230.31
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.21

Literature References

PubMed DOI Target Context # Activities
26988300 10.1016/j.bmcl.2016.03.021 NON-PROTEIN TARGET 8
26988300 10.1016/j.bmcl.2016.03.021 Molecular identity unknown 7
26988300 10.1016/j.bmcl.2016.03.021 K562 6
26988300 10.1016/j.bmcl.2016.03.021 U-937 6
26988300 10.1016/j.bmcl.2016.03.021 Jurkat 5
6418860 10.1021/np50029a010 Hepatocyte 2
9544564 10.1021/np970430b Polyunsaturated fatty acid 5-lipoxygenase 1
9544564 10.1021/np970430b Prostaglandin G/H synthase 1 1
22365756 10.1016/j.bmcl.2012.01.048 Cellular tumor antigen p53 1
22365756 10.1016/j.bmcl.2012.01.048 HepG2 1
29775304 10.1021/acs.jnatprod.7b01076 PC-12 1

Data from ChEMBL 36 via Core Engine