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Compound Detail

CHEMBL2170715

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COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(O[C@H]4O[C@@H](CCO)CO[C@H]4OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170715
Phase Preclinical
Structure Type MOL
InChI Key FHFGXZOISSRNIH-VOUWLVCMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

638.7
MW (Da)
2.60
ALogP
12
HBA
3
HBD
151.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H38O12
MW 638.67
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness 1.78

Literature References

PubMed DOI Target Context # Activities
23025805 10.1021/jm3011542 Eukaryotic initiation factor 4A-I 3
23025805 10.1021/jm3011542 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine