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Compound Detail

CHEMBL539147

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O=c1cc(-c2ccc(OCCOCCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539147
Phase Preclinical
Structure Type MOL
InChI Key YFWAUNBBCXHUDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

590.6
MW (Da)
6.72
ALogP
8
HBA
0
HBD
97.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H30O8
MW 590.63
Aromatic Rings 6
Heavy Atoms 44
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
22989363 10.1021/jm301172v Leishmania donovani 3
19725578 10.1021/jm900194w Multidrug resistance-associated protein 1 1
22989363 10.1021/jm301172v RAW264.7 1

Data from ChEMBL 36 via Core Engine