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Compound Detail

CHEMBL4078162

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O=C(CCc1ccc(O)cc1)c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c(Cc2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C(=O)CCc3ccc(O)cc3)c2O)c1O

Basic Information

ChEMBL ID CHEMBL4078162
Phase Preclinical
Structure Type MOL
InChI Key HAESIEJUHDLTFK-PIHKDYJSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

884.8
MW (Da)
-0.50
ALogP
20
HBA
14
HBD
354.3
PSA (Ų)
0.06
QED
3
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H48O20
MW 884.84
Aromatic Rings 4
Heavy Atoms 63
NP-Likeness 0.98

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28958622 10.1016/j.bmcl.2017.09.035 3T3-L1 1
28958622 10.1016/j.bmcl.2017.09.035 Pancreatic triacylglycerol lipase 1

Data from ChEMBL 36 via Core Engine