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Compound Detail

CHEMBL1811946

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O=C1/C(=C/c2ccc(C3CCCCC3)cc2)Oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1811946
Phase Preclinical
Structure Type MOL
InChI Key LDPXNVABPQFIQB-UCMJSZAQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
8.51
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H32O4
MW 516.64
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
21699179 10.1021/jm200242p Unchecked 2
21699179 10.1021/jm200242p Huh-7 1
21699179 10.1021/jm200242p HEK293 1

Data from ChEMBL 36 via Core Engine