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Compound Detail

CHEMBL555939

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Cc1ccc2oc(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(C)ccc6o5)cc4)cc3)cc(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555939
Phase Preclinical
Structure Type MOL
InChI Key PWECLCSATSJKOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

662.7
MW (Da)
7.36
ALogP
9
HBA
0
HBD
106.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H38O9
MW 662.73
Aromatic Rings 6
Heavy Atoms 49
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
19725578 10.1021/jm900194w ADMET 4
22989363 10.1021/jm301172v Leishmania donovani 3
19725578 10.1021/jm900194w Multidrug resistance-associated protein 1 2
22989363 10.1021/jm301172v RAW264.7 1

Data from ChEMBL 36 via Core Engine