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Compound Detail

CHEMBL223240

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O=c1cc(-c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3)cc2)oc2cc(O)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223240
Phase Preclinical
Structure Type MOL
InChI Key IDODOJJCODTQGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

963.0
MW (Da)
5.66
ALogP
19
HBA
4
HBD
242.9
PSA (Ų)
0.04
QED
3
Ro5 Violations
34
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H58O19
MW 962.99
Aromatic Rings 6
Heavy Atoms 69
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
17194831 10.1128/aac.00998-06 Leishmania donovani 2
17194831 10.1128/aac.00998-06 Leishmania enriettii 1

Data from ChEMBL 36 via Core Engine