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Compound Detail

CHEMBL539985

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O=c1cc(-c2ccc(OCCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539985
Phase Preclinical
Structure Type MOL
InChI Key YFQOMOTUKNLEFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

546.6
MW (Da)
6.71
ALogP
7
HBA
0
HBD
88.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H26O7
MW 546.58
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness -0.10

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