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Compound Detail

CHEMBL387435

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O=c1cc(-c2ccc(OCCOCCOCCOCCOCCOCCOCCOc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3)cc2)oc2cc(O)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL387435
Phase Preclinical
Structure Type MOL
InChI Key RGAJMXGYWAHKOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

830.8
MW (Da)
5.61
ALogP
16
HBA
4
HBD
215.2
PSA (Ų)
0.05
QED
3
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H46O16
MW 830.84
Aromatic Rings 6
Heavy Atoms 60
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
17154505 10.1021/jm060593+ MDA-MB-435 1
17154505 10.1021/jm060593+ P388/ADR 1
19725578 10.1021/jm900194w Multidrug resistance-associated protein 1 1

Data from ChEMBL 36 via Core Engine