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Compound Detail

CHEMBL3928769

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Cc1cc(OC[C@H]2COC(C)(C)O2)cc(C)c1-c1cccc(COc2ccc(-c3cc(O)no3)cc2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3928769
Phase Preclinical
Structure Type MOL
InChI Key FRFGMVMZPLJACZ-SANMLTNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
6.75
ALogP
7
HBA
1
HBD
83.2
PSA (Ų)
0.28
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 C31H33NO6
MW 515.61
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
27825762 10.1016/j.bmcl.2016.10.074 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine