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Compound Detail

CHEMBL3600404

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O=C1C[C@H](c2ccc(O)cc2O)Oc2c(F)c3c(c(O)c21)[C@@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3600404
Phase Preclinical
Structure Type MOL
InChI Key QINVJYDCNGLLNA-LOYIFYEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.5
MW (Da)
5.03
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.21
QED
3
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H21FO9
MW 532.48
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 1.50

Literature References

PubMed DOI Target Context # Activities
26073007 10.1016/j.bmcl.2015.05.062 RAW264.7 2

Data from ChEMBL 36 via Core Engine