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Compound Detail

CHEMBL2172531

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O=c1cc(-c2ccc(OCCOCCOCCOCCOc3ccc(-c4cc(=O)c5c(O)cccc5o4)cc3)cc2)oc2cccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172531
Phase Preclinical
Structure Type MOL
InChI Key CLTCWYZBGHFVEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

666.7
MW (Da)
6.15
ALogP
11
HBA
2
HBD
147.0
PSA (Ų)
0.11
QED
3
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H34O11
MW 666.68
Aromatic Rings 6
Heavy Atoms 49
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
22989363 10.1021/jm301172v Leishmania donovani 3
22989363 10.1021/jm301172v RAW264.7 1

Data from ChEMBL 36 via Core Engine