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Compound Detail

CHEMBL511336

ISOLONCHOCARPIN
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CC1(C)C=Cc2cc(C(=O)/C=C/c3ccccc3)c(O)cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL511336
Name ISOLONCHOCARPIN
Phase Preclinical
Structure Type MOL
InChI Key KVXNRZVPNCKCNO-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
4.47
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H18O3
MW 306.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.61

Literature References

PubMed DOI Target Context # Activities
18951808 10.1016/j.bmc.2008.09.064 Bacillus cereus 2
18951808 10.1016/j.bmc.2008.09.064 Escherichia coli 2
18951808 10.1016/j.bmc.2008.09.064 Pseudomonas aeruginosa 2
18951808 10.1016/j.bmc.2008.09.064 Staphylococcus aureus 2
25466192 10.1016/j.bmcl.2014.11.015 BV-2 1
25466192 10.1016/j.bmcl.2014.11.015 ADMET 1

Data from ChEMBL 36 via Core Engine